8OE5
Structure of P167S BlaC from Mycobacterium tuberculosis at pH 6.3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-09-30 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 |
| Unit cell lengths | 40.627, 53.693, 56.273 |
| Unit cell angles | 88.19, 69.58, 87.73 |
Refinement procedure
| Resolution | 38.090 - 1.800 |
| R-factor | 0.16032 |
| Rwork | 0.159 |
| R-free | 0.18724 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.516 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.640 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 39659 | 2372 |
| <I/σ(I)> | 14 | |
| Completeness [%] | 96.0 | 94.9 |
| Redundancy | 2 | |
| CC(1/2) | 0.999 | 0.864 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 293 | 0.1 M Na Cacod 6.3 pH (Buffer) 1.02 M Na3 Cit (Precipitant) |
