8OE1
Structure of P167S BlaC from Mycobacterium tuberculosis at pH 5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-09-30 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 |
| Unit cell lengths | 40.600, 54.178, 56.036 |
| Unit cell angles | 90.18, 111.10, 91.78 |
Refinement procedure
| Resolution | 52.330 - 1.900 |
| R-factor | 0.17405 |
| Rwork | 0.172 |
| R-free | 0.21310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.499 |
| 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] | 54.150 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rpim | 0.034 | |
| Number of reflections | 33495 | 2152 |
| <I/σ(I)> | 6.1 | 1.3 |
| Completeness [%] | 95.4 | 93.8 |
| Redundancy | 1.6 | |
| CC(1/2) | 0.981 | 0.446 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 0.1 M Na Cacod 5 pH (Buffer) 1.02 M Na3 Cit (Precipitant) |
