8F3U
Crystal structure of Penicillin Binding Protein 5 (PBP5) T485M T499I V629E 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 | 2018-04-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 194.296, 194.296, 154.412 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.600 - 2.600 |
R-factor | 0.1996 |
Rwork | 0.199 |
R-free | 0.22190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6mka |
RMSD bond length | 0.001 |
RMSD bond angle | 0.434 |
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] | 38.600 | 2.680 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.077 | 1.102 |
Rmeas | 0.080 | 1.153 |
Rpim | 0.024 | 0.338 |
Total number of observations | 612496 | 51269 |
Number of reflections | 53261 | 4505 |
<I/σ(I)> | 20.2 | 2.3 |
Completeness [%] | 99.9 | |
Redundancy | 11.5 | 11.4 |
CC(1/2) | 0.999 | 0.801 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 0.1 M citric acid pH 5.0, 3.0 ammonium sulfate |