7KEQ
avibactam-CDD-1 6 minute complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-06-13 |
| Detector | RAYONIX MX-325 |
| Wavelength(s) | 1.195 |
| Spacegroup name | P 43 3 2 |
| Unit cell lengths | 123.536, 123.536, 123.536 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.070 - 2.000 |
| R-factor | 0.1739 |
| Rwork | 0.172 |
| R-free | 0.21670 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.197 |
| 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 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmeas | 0.145 | |
| Rpim | 0.044 | 0.410 |
| Number of reflections | 22396 | 1615 |
| <I/σ(I)> | 13.2 | |
| Completeness [%] | 99.9 | |
| Redundancy | 10.6 | |
| CC(1/2) | 0.998 | 0.718 |
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 |
