4WEL
Crystal structure of Pseudomonas aeruginosa PBP3 with SMC-3176
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 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.442, 83.337, 89.411 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.960 - 1.990 |
| R-factor | 0.1912 |
| Rwork | 0.190 |
| R-free | 0.21990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pbo |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 89.411 | 1.997 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.052 | 0.591 |
| Number of reflections | 35818 | |
| <I/σ(I)> | 24.6 | 4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8 | 8.4 |
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 |
