8EC4
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 240ms
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] | 300 |
| 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 | 79.820, 97.890, 113.170 |
| Unit cell angles | 90.00, 109.34, 90.00 |
Refinement procedure
| Resolution | 22.420 - 2.350 |
| R-factor | 0.2425 |
| Rwork | 0.241 |
| R-free | 0.27470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6b5x |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.802 |
| 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] | 22.420 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Number of reflections | 68441 | 6775 |
| <I/σ(I)> | 3.78 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 446 | |
| CC(1/2) | 0.970 | 0.250 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 4.1 | 300 | 2.4 M ammonium phosphate |
