6GXT
The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: FAcD2052MS after reaction initiation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P14 (MX2) |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2016-06-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.96269 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.760, 79.540, 84.460 |
| Unit cell angles | 90.00, 102.94, 90.00 |
Refinement procedure
| Resolution | 57.199 - 1.950 |
| R-factor | 0.1836 |
| Rwork | 0.181 |
| R-free | 0.22770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3r3u |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.905 |
| 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] | 57.510 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 39351 | |
| <I/σ(I)> | 4 | |
| Completeness [%] | 99.9 | |
| Redundancy | 59.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 293 | PEG 3350 18 - 20 % CaCl 200 mM TrisHCL 100 mM pH 8.5 |
