9HCK
Structure of P167S/D240G/D172A/S104G BlaC from Mycobacterium tuberculosis at pH 5.5
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 | 2023-04-12 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.8731 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.875, 54.642, 54.163 |
| Unit cell angles | 90.00, 93.17, 90.00 |
Refinement procedure
| Resolution | 38.440 - 1.600 |
| R-factor | 0.1538 |
| Rwork | 0.152 |
| R-free | 0.18810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.787 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.440 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 20155 | 20155 |
| <I/σ(I)> | 14.7 | |
| Completeness [%] | 95.3 | |
| Redundancy | 1.6 | |
| CC(1/2) | 0.998 | 0.861 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Bis-Tris buffer, pH 5.5 2 M (NH4)2SO4 |
