6H2G
Structure of BlaC from Mycobacterium tuberculosis bound to the propionaldehyde ester adduct of clavulanic acid.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 |
| Unit cell lengths | 39.398, 41.314, 76.222 |
| Unit cell angles | 75.67, 89.96, 89.26 |
Refinement procedure
| Resolution | 40.030 - 2.800 |
| R-factor | 0.2159 |
| Rwork | 0.212 |
| R-free | 0.28908 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gdn |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.481 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.030 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rpim | 0.100 | 0.243 |
| Number of reflections | 9073 | 1361 |
| <I/σ(I)> | 5 | 2.1 |
| Completeness [%] | 79.2 | 80.9 |
| Redundancy | 1.6 | 1.6 |
| CC(1/2) | 0.984 | 0.881 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.5 | 0.1 M sodium acetate buffer, pH 5.0 25% w/v PEG1500 |
