7MED
CDD-1 beta-lactamase in imidazole/MPD 5 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 | 2020-07-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 43 3 2 |
Unit cell lengths | 123.436, 123.436, 123.436 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.030 - 1.780 |
R-factor | 0.1968 |
Rwork | 0.195 |
R-free | 0.22550 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.007 |
RMSD bond angle | 1.003 |
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] | 39.030 | 1.820 |
High resolution limit [Å] | 1.780 | 1.780 |
Rmeas | 0.092 | |
Rpim | 0.018 | 0.435 |
Number of reflections | 31415 | 1757 |
<I/σ(I)> | 24.5 | 1.9 |
Completeness [%] | 100.0 | |
Redundancy | 25.7 | |
CC(1/2) | 1.000 | 0.733 |
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 |