7MEH
CDD-1 beta-lactamase in imidazole/MPD 60 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 | 2020-07-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 43 3 2 |
Unit cell lengths | 123.673, 123.673, 123.673 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.110 - 1.800 |
R-factor | 0.1861 |
Rwork | 0.184 |
R-free | 0.22800 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.007 |
RMSD bond angle | 1.006 |
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] | 39.110 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmeas | 0.117 | |
Rpim | 0.023 | 0.392 |
Number of reflections | 30600 | 1712 |
<I/σ(I)> | 18.4 | 1.9 |
Completeness [%] | 99.7 | |
Redundancy | 25.6 | |
CC(1/2) | 0.999 | 0.755 |
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 |