Abstract

Reducing the sample-exchange time is a crucial issue in maximizing the throughput of macromolecular crystallography (MX) beamlines because the diffraction data collection itself is completed within a minute in the era of pixel-array detectors. To this end, an upgraded sample changer, SPACE-II, has been developed on the basis of the previous model, SPACE (SPring-8 Precise Automatic Cryo-sample Exchanger), at the BL41XU beamline at SPring-8. SPACE-II achieves one sample-exchange step within 16 s, of which its action accounts for only 11 s, because of three features: (i) the implementation of twin arms that enable samples to be exchanged in one cycle of mount-arm action, (ii) the implementation of long-stroke mount arms that allow samples to be exchanged without withdrawal of the detector and (iii) the use of a fast-moving translation and rotation stage for the mount arms. By pre-holding the next sample prior to the sample-exchange sequence, the time was further decreased to 11 s in the case of automatic data collection, of which the action of SPACE-II accounted for 8 s. Moreover, the sample capacity was expanded from four to eight Uni-Pucks. The performance of SPACE-II has been demonstrated in over two years of operation at BL41XU; the average number of samples mounted on the diffractometer in one day was increased from 132 to 185, with an error rate of 0.089%, which counted incidents in which users could not continue with an experiment without recovery work by entering the experimental hutch. On the basis of these results, SPACE-II has been installed at three other MX beamlines at SPring-8 as of July 2019. The fast and highly reliable SPACE-II is now one of the most important pieces of infrastructure for the MX beamlines at SPring-8, providing users with the opportunity to fully make use of limited beamtime with brilliant X-rays.

Highlights

  • The automation of data collection at macromolecular crystallography (MX) beamlines is important for the efficient use of the limited beamtime

  • One key apparatus for automation is a sample-changer robot; this enables samples to be exchanged without entering the experimental hutch and such robots are installed at most MX beamlines nowadays

  • The mount arms have a long stroke and the sample storage is larger in SPACE-II, as described it is still compact enough to be located on a diffractometer table (Fig. 2)

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Summary

Introduction

The automation of data collection at macromolecular crystallography (MX) beamlines is important for the efficient use of the limited beamtime. FlexED8, which was recently developed at the EMBL Grenoble for the former EMBL–ESRF– India beamline BM14 at the ESRF, achieves a nominal sample-exchange time of 5 s by implementing a double gripper, where the time taken to move the mount arm between the sample storage and the goniometer might not be included (Papp, Felisaz et al, 2017) Another approach to exchange samples in one cycle is to use one of the robot axes as a spindle axis of the goniometer, which was attempted by G-Rob on beamline FIP-BM30A of the ESRF (Jacquamet, Ohana, Joly, Borel et al, 2004). The magenta dotted line in (a) indicates the direction of the goniometer spindle axis

Overall architecture
Mount arm
Sample storage
Ancillary equipment for SPACE-II
Control of SPACE-II
Alignment and teaching
Sequence of sample exchange using twin arms
Performance of SPACE-II at BL41XU
Discussion and conclusion
Findings
Funding information
Full Text
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