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 |
