8ECF
Cryo structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 3 hours
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.26 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.442, 96.666, 111.028 |
| Unit cell angles | 90.00, 108.08, 90.00 |
Refinement procedure
| Resolution | 48.330 - 2.736 |
| Rwork | 0.211 |
| R-free | 0.26820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6b5x |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.191 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.330 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.180 | 0.180 |
| Number of reflections | 25400 | 43 |
| <I/σ(I)> | 0.372 | |
| Completeness [%] | 100.0 | |
| Redundancy | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.1 | 300 | 2.1 M Ammonium Phosphate |
