8F3G
Crystal structure of Penicillin Binding Protein 5 (PBP5) T485M variant in the 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 | 191.698, 191.698, 156.683 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.120 - 3.590 |
R-factor | 0.2022 |
Rwork | 0.201 |
R-free | 0.22770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6mka |
RMSD bond length | 0.001 |
RMSD bond angle | 0.406 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.1) |
Refinement software | PHENIX (1.19.1-4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.700 | 3.930 |
High resolution limit [Å] | 3.590 | 3.590 |
Rmerge | 0.306 | 2.147 |
Rmeas | 0.314 | 2.203 |
Rpim | 0.070 | 0.491 |
Total number of observations | 395796 | 91876 |
Number of reflections | 20327 | 4714 |
<I/σ(I)> | 10.1 | 2.2 |
Completeness [%] | 99.6 | |
Redundancy | 19.5 | 19.5 |
CC(1/2) | 0.997 | 0.796 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 298 | 0.1 M Citric acid pH 4.0, 2.2 M ammonium sulfate |