8RFZ
Structure of E166A BlaC from Mycobacterium tuberculosis at pH 4.5
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 | 2023-04-13 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.8731 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.955, 54.745, 53.759 |
| Unit cell angles | 90.00, 92.89, 90.00 |
Refinement procedure
| Resolution | 38.360 - 1.420 |
| R-factor | 0.19023 |
| Rwork | 0.189 |
| R-free | 0.21056 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.466 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.740 | 1.440 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rpim | 0.161 | |
| Number of reflections | 42647 | 2384 |
| <I/σ(I)> | 8 | |
| Completeness [%] | 99.3 | 96 |
| Redundancy | 1.4 | |
| CC(1/2) | 0.853 | 0.575 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 0.05 M LiSO4 (Salt) 0.1 M Na Acet 4.5 pH (Buffer) 25 %w/v PEG 8K (Precipitant) |
