4WEJ
Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted allyl monocarbam
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 | 2013-06-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.788, 83.047, 88.801 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.880 - 2.045 |
| R-factor | 0.1859 |
| Rwork | 0.184 |
| R-free | 0.22480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pbo |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.081 | 2.051 |
| High resolution limit [Å] | 2.045 | 2.045 |
| Rmerge | 0.077 | 0.584 |
| Number of reflections | 32015 | |
| <I/σ(I)> | 18 | 3.8 |
| Completeness [%] | 98.8 | 98.2 |
| Redundancy | 8 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 30% PEG 4000, 0.2M MgCl2, 0.1M Tris pH 8.5 |
