7KIT
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with WCK 4234
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X17B1 |
Synchrotron site | NSLS |
Beamline | X17B1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-28 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97928 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.945, 78.874, 87.213 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.249 - 2.089 |
R-factor | 0.1975 |
Rwork | 0.195 |
R-free | 0.24210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pbq |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.250 | 2.140 |
High resolution limit [Å] | 2.089 | 2.089 |
Rmerge | 0.134 | 0.920 |
Number of reflections | 27862 | 1915 |
<I/σ(I)> | 8.2 | |
Completeness [%] | 99.4 | 94.3 |
Redundancy | 6.6 | 6.2 |
CC(1/2) | 0.994 | 0.658 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30% polyethylene glycol 4000, 0.2 M MgCl2, 0.1 M Tris pH 8.5 |