8VBU
Structure of the monofunctional Staphylococcus aureus PBP1 in its beta-lactam (Oxacillin) inhibited form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-26 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.033210 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 179.949, 72.230, 87.350 |
Unit cell angles | 90.00, 103.34, 90.00 |
Refinement procedure
Resolution | 54.970 - 2.000 |
R-factor | 0.1908 |
Rwork | 0.189 |
R-free | 0.22470 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.902 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 87.550 | 2.040 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.276 | 1.452 |
Rpim | 0.257 | 1.337 |
Number of reflections | 73247 | 4466 |
<I/σ(I)> | 3.8 | 1.9 |
Completeness [%] | 99.3 | 99.2 |
Redundancy | 2.8 | 2.9 |
CC(1/2) | 0.726 | 0.339 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.18M ammonium citrate 22% PEG 3350 |