8F3N
Crystal structure of Penicillin Binding Protein 5 (PBP5) T485A variant with S466 insertion 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 | 192.264, 192.264, 156.952 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.200 - 2.990 |
R-factor | 0.1993 |
Rwork | 0.198 |
R-free | 0.21800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6mka |
RMSD bond length | 0.001 |
RMSD bond angle | 0.414 |
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] | 39.240 | 3.140 |
High resolution limit [Å] | 2.990 | 2.990 |
Rmerge | 0.131 | 0.542 |
Rmeas | 0.137 | 0.591 |
Rpim | 0.040 | 0.206 |
Total number of observations | 455452 | 58701 |
Number of reflections | 34774 | 4522 |
<I/σ(I)> | 13.5 | 2.3 |
Completeness [%] | 99.6 | |
Redundancy | 13.1 | 13 |
CC(1/2) | 0.971 | 0.964 |
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 M ammonium sulfate |