8F3R
Crystal structure of Penicillin Binding Protein 5 (PBP5) T485M T499I variant apo 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 | 191.600, 191.600, 156.315 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.990 - 3.300 |
R-factor | 0.1767 |
Rwork | 0.176 |
R-free | 0.19860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6mka |
RMSD bond length | 0.001 |
RMSD bond angle | 0.388 |
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] | 39.080 | 3.520 |
High resolution limit [Å] | 3.300 | 3.300 |
Rmerge | 0.165 | 0.774 |
Rmeas | 0.170 | 0.794 |
Rpim | 0.038 | 0.177 |
Total number of observations | 511918 | 91766 |
Number of reflections | 26059 | 4620 |
<I/σ(I)> | 20.3 | 7.2 |
Completeness [%] | 99.8 | |
Redundancy | 19.6 | 19.9 |
CC(1/2) | 0.995 | 0.949 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.1 M HEPES pH 7.0, 2.8 M ammonium sulfate |