9QI3
Crystal structure of I105Y/S130G double mutant of BlaC from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-06-29 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.8731 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.440, 41.425, 269.624 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 135.180 - 1.300 |
| R-factor | 0.14206 |
| Rwork | 0.140 |
| R-free | 0.17407 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.864 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 135.180 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Number of reflections | 109981 | 5438 |
| <I/σ(I)> | 12.2 | |
| Completeness [%] | 99.7 | |
| Redundancy | 1.9 | |
| CC(1/2) | 0.972 | 0.790 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 291 | 0.015M Zn Chloride, 0.13M Na Acetate, 22%v/v PEGSM |
