8F3J
Crystal structure of Penicillin Binding Protein 5 (PBP5) T485A 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 | 191.129, 191.129, 156.508 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.080 - 2.590 |
R-factor | 0.1963 |
Rwork | 0.195 |
R-free | 0.21880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6mka |
RMSD bond length | 0.002 |
RMSD bond angle | 0.504 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.19.1-4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.600 | 2.670 |
High resolution limit [Å] | 2.590 | 2.590 |
Rmerge | 0.212 | 2.759 |
Rmeas | 0.218 | 2.878 |
Rpim | 0.049 | 0.797 |
Total number of observations | 997347 | 52806 |
Number of reflections | 52412 | 4337 |
<I/σ(I)> | 13 | 1.5 |
Completeness [%] | 99.7 | |
Redundancy | 19 | 12.2 |
CC(1/2) | 0.997 | 0.475 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.1 M Tris pH 8.0, 3.0 M ammonium sulfate |