8EBR
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 30ms
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 | 80.180, 98.540, 112.310 |
| Unit cell angles | 90.00, 108.93, 90.00 |
Refinement procedure
| Resolution | 20.400 - 2.800 |
| R-factor | 0.232 |
| Rwork | 0.230 |
| R-free | 0.28100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6b5x |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.400 | 3.060 |
| High resolution limit [Å] | 2.800 | 2.950 |
| Number of reflections | 37864 | 1945 |
| <I/σ(I)> | 3.09 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 119 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 4.1 | 300 | 2.4 M ammonium phosphate |
