7MEF
CDD-1 beta-lactamase in imidazole/MPD 10 minute avibactam complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 43 3 2 |
Unit cell lengths | 123.803, 123.803, 123.803 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.150 - 1.900 |
R-factor | 0.1916 |
Rwork | 0.190 |
R-free | 0.22950 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.008 |
RMSD bond angle | 1.062 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.200 | 1.950 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmeas | 0.130 | |
Rpim | 0.032 | 0.378 |
Number of reflections | 26101 | 1701 |
<I/σ(I)> | 11.7 | 1.7 |
Completeness [%] | 99.9 | |
Redundancy | 16.9 | |
CC(1/2) | 0.998 | 0.776 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M HEPES pH 7.0, 2.4 M ammonium sulfate |