5NJ2
Crystal structure of BlaC from Mycobacterium tuberculosis bound to phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-11-07 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 1 |
| Unit cell lengths | 39.591, 41.683, 76.841 |
| Unit cell angles | 101.28, 90.11, 90.43 |
Refinement procedure
| Resolution | 75.360 - 1.190 |
| R-factor | 0.16797 |
| Rwork | 0.167 |
| R-free | 0.18953 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gdn |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.185 |
| Refinement software | REFMAC (7.0.033) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.360 | 1.230 |
| High resolution limit [Å] | 1.190 | 1.190 |
| Rmerge | 0.063 | 0.573 |
| Rpim | 0.041 | 0.467 |
| Number of reflections | 96841 | 689 |
| <I/σ(I)> | 11.3 | 1.2 |
| Completeness [%] | 62.7 | |
| Redundancy | 3.2 | 2 |
| CC(1/2) | 0.998 | 0.523 |
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% PEG1500 |
