6N6U
OXA-23 mutant F110A/M221A low pH form imipenem complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 136.161, 44.200, 46.627 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.072 - 1.550 |
R-factor | 0.1777 |
Rwork | 0.177 |
R-free | 0.19620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jf5 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.200 | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmeas | 0.062 | 0.947 |
Rpim | 0.023 | 0.359 |
Number of reflections | 41612 | 1995 |
<I/σ(I)> | 12.8 | |
Completeness [%] | 99.8 | |
Redundancy | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.1 | 293 | 0.06 M citric acid, 0.04 M bis-Tris propane, pH 4.1, 16% PEG3350 |