8F3L
Crystal structure of Penicillin Binding Protein 5 (PBP5) T485A 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 | 2019-06-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 193.182, 193.182, 156.401 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.100 - 3.400 |
R-factor | 0.1814 |
Rwork | 0.181 |
R-free | 0.19630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6mka |
RMSD bond length | 0.002 |
RMSD bond angle | 0.436 |
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] | 39.100 | 3.630 |
High resolution limit [Å] | 3.390 | 3.390 |
Rmerge | 0.276 | 3.385 |
Rmeas | 0.283 | 3.473 |
Rpim | 0.064 | 0.769 |
Total number of observations | 476902 | 85299 |
Number of reflections | 24307 | 4254 |
<I/σ(I)> | 10.7 | 2.2 |
Completeness [%] | 99.7 | |
Redundancy | 19.6 | 20.1 |
CC(1/2) | 0.997 | 0.662 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.08 M HEPES pH 7.0, 2.4 M ammonium sulfate |