8F3S
Crystal structure of Penicillin Binding Protein 5 (PBP5) T485M T499I 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 | 193.338, 193.338, 156.986 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.310 - 3.500 |
R-factor | 0.185 |
Rwork | 0.183 |
R-free | 0.21370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6mka |
RMSD bond length | 0.001 |
RMSD bond angle | 0.402 |
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] | 38.410 | 3.780 |
High resolution limit [Å] | 3.500 | 3.500 |
Rmerge | 0.507 | 4.077 |
Rmeas | 0.521 | 4.184 |
Rpim | 0.117 | 0.930 |
Total number of observations | 436622 | 89790 |
Number of reflections | 22247 | 4509 |
<I/σ(I)> | 11.2 | 3.9 |
Completeness [%] | 99.3 | |
Redundancy | 19.6 | 19.9 |
CC(1/2) | 0.992 | 0.846 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.1 M MES pH 6.0, 2.9 M ammonium sulfate |