7KER
avibactam-CDD-1 45 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 | 2020-06-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 43 3 2 |
| Unit cell lengths | 124.184, 124.184, 124.184 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.440 - 1.930 |
| R-factor | 0.172 |
| Rwork | 0.171 |
| R-free | 0.19650 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.265 |
| 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] | 39.300 | 1.970 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmeas | 0.186 | |
| Rpim | 0.040 | 0.386 |
| Number of reflections | 25361 | 1645 |
| <I/σ(I)> | 9.9 | 1.9 |
| Completeness [%] | 99.8 | |
| Redundancy | 21 | |
| CC(1/2) | 0.998 | 0.751 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 278 | 0.1 M HEPES, pH 7.0, 2.4 M ammonium sulfate |
