6GXD
The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: FAcD752MS after reaction initiation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2017-05-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.00890 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.370, 78.540, 83.510 |
| Unit cell angles | 90.00, 102.76, 90.00 |
Refinement procedure
| Resolution | 40.724 - 1.800 |
| R-factor | 0.1673 |
| Rwork | 0.165 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3r3u |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.550 |
| Data reduction software | XDS (nXDS) |
| Data scaling software | XSCALE (nXSCALE) |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.500 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 48357 | |
| <I/σ(I)> | 5.3 | |
| Completeness [%] | 99.9 | |
| Redundancy | 39.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 293 | PEG 3350, 18-20 (w/v) CaCl2, 100 mM Tris HCl, 100 mM pH 8.5 |
