6O9S
Crystal structure of Staphylococcus aureus MecR1 antibiotic-sensor domain in complex with avibactam
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-15 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.9840 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 58.672, 58.672, 147.602 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.927 - 1.590 |
R-factor | 0.1594 |
Rwork | 0.158 |
R-free | 0.19670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2iwb |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.15) |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.930 | 1.620 |
High resolution limit [Å] | 1.590 | 1.590 |
Rmerge | 0.049 | 0.526 |
Rmeas | 0.053 | 0.599 |
Rpim | 0.020 | 0.275 |
Number of reflections | 35378 | 1610 |
<I/σ(I)> | 20.5 | |
Completeness [%] | 99.2 | 91.1 |
Redundancy | 6.7 | 4.2 |
CC(1/2) | 0.999 | 0.791 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 296 | 2.5 M ammonium sulphate, 50 mM HEPES pH 7.5, 1 mM oxacillin |