3SYS
Improved crystal structure of Pseudomonas aeruginosa OccK1 (OpdK)
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 | 2010-04-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.10 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 82.142, 96.840, 121.557 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.907 - 1.650 |
| R-factor | 0.1816 |
| Rwork | 0.181 |
| R-free | 0.20070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qtk |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.038 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.061 | 0.590 |
| Number of reflections | 116761 | |
| <I/σ(I)> | 44.8 | 2.9 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 7.7 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 295 | 25% PEG 400 0.1 M Na-citrate 50 mM NaCl 25 mM Na-vanillate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
