8F3P
Crystal structure of Penicillin Binding Protein 5 (PBP5) R464A variant penicillin bound form from Enterococcus faecium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 191.741, 191.741, 156.390 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.100 - 3.090 |
R-factor | 0.1889 |
Rwork | 0.188 |
R-free | 0.21320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6mka |
RMSD bond length | 0.002 |
RMSD bond angle | 0.492 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1-4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.680 | 3.260 |
High resolution limit [Å] | 3.090 | 3.090 |
Rmerge | 0.288 | 2.256 |
Rmeas | 0.295 | 2.314 |
Rpim | 0.066 | 0.508 |
Total number of observations | 622831 | 89447 |
Number of reflections | 31376 | 4435 |
<I/σ(I)> | 13.2 | 2.3 |
Completeness [%] | 99.7 | |
Redundancy | 19.9 | 20.2 |
CC(1/2) | 0.996 | 0.865 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.085 M Tris pH 8.0, 2.55 M ammonium sulfate |