8F3H
Crystal structure of Penicillin Binding Protein 5 (PBP5) S466 insertion 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 | 2018-01-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 193.917, 193.917, 154.813 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.700 - 2.600 |
R-factor | 0.1955 |
Rwork | 0.194 |
R-free | 0.21750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6mka |
RMSD bond length | 0.002 |
RMSD bond angle | 0.479 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER (2.8.1) |
Refinement software | PHENIX (1.19.1-4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.700 | 2.680 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.113 | 1.823 |
Rmeas | 0.122 | 1.904 |
Rpim | 0.041 | 0.532 |
Total number of observations | 685252 | 58801 |
Number of reflections | 53112 | 4513 |
<I/σ(I)> | 18.9 | 1.5 |
Completeness [%] | 99.9 | |
Redundancy | 12.9 | 13 |
CC(1/2) | 0.974 | 0.998 |
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 |