6H2C
Structure of BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct derived from clavulanic acid.
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 | 2015-10-31 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 1 |
| Unit cell lengths | 39.650, 41.980, 76.917 |
| Unit cell angles | 78.40, 89.95, 89.75 |
Refinement procedure
| Resolution | 41.120 - 1.930 |
| R-factor | 0.23054 |
| Rwork | 0.229 |
| R-free | 0.26694 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gdn |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.660 |
| 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] | 41.120 | 2.000 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rpim | 0.124 | 0.342 |
| Number of reflections | 34426 | 3078 |
| <I/σ(I)> | 4.4 | 1.8 |
| Completeness [%] | 94.4 | 85.4 |
| Redundancy | 2.3 | 2.1 |
| CC(1/2) | 0.974 | 0.709 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.1 M sodium acetate, pH 5.0 25% w/v PEG1500 |
