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 |