7LNQ
Structure of the avibactam-CDD-1 3 minute complex in imidazole and MPD
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 | 2020-06-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 43 3 2 |
Unit cell lengths | 123.548, 123.548, 123.548 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.070 - 1.730 |
R-factor | 0.1861 |
Rwork | 0.185 |
R-free | 0.21320 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6edm |
RMSD bond length | 0.008 |
RMSD bond angle | 1.030 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.100 | 1.760 |
High resolution limit [Å] | 1.730 | 1.730 |
Rmeas | 0.111 | |
Rpim | 0.023 | 0.440 |
Number of reflections | 34244 | 1839 |
<I/σ(I)> | 18.9 | 2 |
Completeness [%] | 100.0 | |
Redundancy | 23.6 | |
CC(1/2) | 0.999 | 0.753 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 0.1 M HEPES, 2.4 M ammonium sulfate |