6ITY
CTX-M-64 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 | 45.302, 106.394, 47.549 |
| Unit cell angles | 90.00, 100.81, 90.00 |
Refinement procedure
| Resolution | 46.710 - 2.140 |
| R-factor | 0.16383 |
| Rwork | 0.161 |
| R-free | 0.22291 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.812 |
| Data reduction software | xia2 |
| Data scaling software | pointless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.710 | 1.880 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.196 | 0.739 |
| Number of reflections | 23098 | 6117 |
| <I/σ(I)> | 6.6 | 2.3 |
| Completeness [%] | 94.6 | 96.6 |
| Redundancy | 6.2 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.1M HEPES (pH 7.4) and 17.5% polyethylene glycol 10000 |
