6J2K
CTX-M-64 beta-lactamase S130T clavulanic acid 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 | 45.160, 105.540, 47.590 |
Unit cell angles | 90.00, 101.09, 90.00 |
Refinement procedure
Resolution | 40.860 - 1.440 |
R-factor | 0.14916 |
Rwork | 0.148 |
R-free | 0.17778 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5twd |
RMSD bond length | 0.013 |
RMSD bond angle | 1.898 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.700 | 1.220 |
High resolution limit [Å] | 1.190 | 1.190 |
Number of reflections | 103975 | 767 |
<I/σ(I)> | 18.6 | 1.8 |
Completeness [%] | 74.8 | |
Redundancy | 6 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 289 | 0.1 M HEPES, pH7.4, 25% PEG10000 |