5FSR
Crystal structure of penicillin binding protein 6B from Escherichia coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-09-20 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 |
| Unit cell lengths | 35.252, 55.996, 108.137 |
| Unit cell angles | 104.88, 95.24, 90.60 |
Refinement procedure
| Resolution | 43.590 - 2.400 |
| R-factor | 0.25979 |
| Rwork | 0.257 |
| R-free | 0.30249 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nzo |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.603 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.590 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.090 | 0.200 |
| Number of reflections | 29631 | |
| <I/σ(I)> | 5.1 | 2.3 |
| Completeness [%] | 95.2 | 91.2 |
| Redundancy | 1.9 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 20 % PEG 3000, 0.1 M SODIUM CITRATE, PH 5.5 |
