6J2B
CTX-M-64 beta-lactamase S130T sulbactam complex
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 | 44.840, 105.880, 47.440 |
| Unit cell angles | 90.00, 101.16, 90.00 |
Refinement procedure
| Resolution | 46.540 - 1.440 |
| R-factor | 0.15426 |
| Rwork | 0.153 |
| R-free | 0.18725 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5twd |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.380 |
| 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] | 46.540 | 1.340 |
| High resolution limit [Å] | 1.310 | 1.310 |
| Number of reflections | 93345 | |
| <I/σ(I)> | 12.2 | |
| Completeness [%] | 90.0 | |
| Redundancy | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 289 | 0.1M HEPES, pH7.4, 25% PEG10000 |
