4FSF
Crystal structure of Pseudomonas aeruginosa PBP3 complexed with compound 14
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2010-09-01 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.640, 82.723, 88.747 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.110 - 2.200 |
R-factor | 0.2195 |
Rwork | 0.216 |
R-free | 0.27540 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 25112 | |
Completeness [%] | 96.5 | 85.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 30% PEG4000, 0.2M MgCl2 0.1M Tris pH8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |