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 |