8F3I
Crystal structure of Penicillin Binding Protein 5 (PBP5) S466 insertion 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 | 193.621, 193.621, 155.603 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.900 - 2.800 |
R-factor | 0.1855 |
Rwork | 0.184 |
R-free | 0.20780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6mka |
RMSD bond length | 0.002 |
RMSD bond angle | 0.439 |
Data reduction software | XDS |
Data scaling software | Aimless (0.6.3) |
Phasing software | PHASER (2.8.1) |
Refinement software | PHENIX (1.19.1-4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.900 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.098 | 1.049 |
Rmeas | 0.103 | 1.099 |
Rpim | 0.031 | 0.323 |
Total number of observations | 475161 | 49018 |
Number of reflections | 42818 | 4381 |
<I/σ(I)> | 18.4 | 2.7 |
Completeness [%] | 99.7 | |
Redundancy | 11.1 | 11.2 |
CC(1/2) | 0.999 | 0.815 |
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 |