6H2K
Structure of BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct of sulbactam.
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 | 2016-07-23 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 |
| Unit cell lengths | 39.710, 41.950, 76.930 |
| Unit cell angles | 105.10, 89.95, 90.81 |
Refinement procedure
| Resolution | 40.500 - 1.900 |
| R-factor | 0.18443 |
| Rwork | 0.182 |
| R-free | 0.22679 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gdn |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.877 |
| 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] | 40.500 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 73926 | |
| <I/σ(I)> | 6.82 | |
| Completeness [%] | 85.9 | |
| Redundancy | 1.9 |
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 |
