4FRX
Crystal Structure of Pseudomonas aeruginosa OccK8 (OprE)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.10 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 138.386, 90.121, 103.598 |
| Unit cell angles | 90.00, 92.51, 90.00 |
Refinement procedure
| Resolution | 14.993 - 1.900 |
| R-factor | 0.214 |
| Rwork | 0.213 |
| R-free | 0.24690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sys |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.137 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 99602 | |
| <I/σ(I)> | 9.2 | 1.93 |
| Completeness [%] | 99.3 | 98.6 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 25% PEG 400, 0.2M ammonium sulphate, 0.05M HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
