8GCS
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 3 ms
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SLAC LCLS BEAMLINE MFX |
| Synchrotron site | SLAC LCLS |
| Beamline | MFX |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2020-10-11 |
| Detector | SLAC ePix10k 2M |
| Wavelength(s) | 1.26 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.500, 98.790, 111.470 |
| Unit cell angles | 90.00, 108.48, 90.00 |
Refinement procedure
| Resolution | 22.010 - 2.620 |
| R-factor | 0.209 |
| Rwork | 0.206 |
| R-free | 0.26610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6b5x |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.084 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.010 | 2.700 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 42822 | 5038 |
| <I/σ(I)> | 4.3 | 0.13 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 343 | |
| CC(1/2) | 0.200 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 293 | 2.4 M ammonium phosphate |
