7KEP
avibactam-CDD-1 2 minute 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 | 2020-06-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 43 3 2 |
Unit cell lengths | 123.535, 123.535, 123.535 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.070 - 1.920 |
R-factor | 0.1774 |
Rwork | 0.176 |
R-free | 0.20630 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.009 |
RMSD bond angle | 1.306 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | PHENIX (dev_3908) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.100 | 1.970 |
High resolution limit [Å] | 1.920 | 1.920 |
Rmeas | 0.154 | |
Rpim | 0.033 | 0.486 |
Number of reflections | 25236 | 1661 |
<I/σ(I)> | 17.1 | 2 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 21.5 | |
CC(1/2) | 0.999 | 0.663 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 278 | 0.1 M HEPES, pH 7.0, 2.4 M ammonium sulfate |