6J25
CTX-M-64 beta-lactamase mutant-S130T
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-04-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97917 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.250, 105.990, 47.970 |
| Unit cell angles | 90.00, 100.73, 90.00 |
Refinement procedure
| Resolution | 52.990 - 1.200 |
| R-factor | 0.18231 |
| Rwork | 0.182 |
| R-free | 0.19407 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5twd |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.418 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.220 | 1.070 |
| High resolution limit [Å] | 1.040 | 1.040 |
| Rmerge | 0.071 | 0.407 |
| Number of reflections | 170268 | |
| <I/σ(I)> | 13.8 | 1.6 |
| Completeness [%] | 80.3 | |
| Redundancy | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 289 | 0.1M HEPES pH 7.4 25% PEG10000 |
