6H2H
Structure of BlaC from Mycobacterium tuberculosis covalently bound to avibactam.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-11-07 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 1 |
| Unit cell lengths | 39.520, 41.324, 76.360 |
| Unit cell angles | 104.83, 90.03, 91.18 |
Refinement procedure
| Resolution | 73.820 - 1.620 |
| R-factor | 0.21066 |
| Rwork | 0.209 |
| R-free | 0.24393 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gdn |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.858 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.820 | 1.650 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rpim | 0.089 | 0.652 |
| Number of reflections | 51765 | 1460 |
| <I/σ(I)> | 5.8 | 1.3 |
| Completeness [%] | 87.3 | 49.1 |
| Redundancy | 3.9 | 3.9 |
| CC(1/2) | 0.994 | 0.578 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.1 M sodium acetate buffer, pH 5.0 25% w/v PEG1500 |
