7A72
Structure of G132S BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct of sulbactam
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-16 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.912 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.488, 54.658, 78.202 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.840 - 1.300 |
| R-factor | 0.154 |
| Rwork | 0.152 |
| R-free | 0.18938 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6h2k |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.940 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.200 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rpim | 0.038 | 0.582 |
| Number of reflections | 56098 | 2775 |
| <I/σ(I)> | 11.1 | 1.3 |
| Completeness [%] | 98.2 | |
| Redundancy | 5.7 | 5.6 |
| CC(1/2) | 0.999 | 0.655 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.3 | 293 | 0.1 M Sodium Cacodylate, 15% PEG-SB, 10% Ethylene Glycol, 5% TMate |
