3S6J
The crystal structure of a hydrolase from Pseudomonas syringae
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 | 2011-03-04 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 |
| Unit cell lengths | 69.535, 74.887, 75.113 |
| Unit cell angles | 59.77, 67.49, 88.00 |
Refinement procedure
| Resolution | 49.890 - 2.198 |
| R-factor | 0.1977 |
| Rwork | 0.195 |
| R-free | 0.24270 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.212 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.270 |
| High resolution limit [Å] | 2.190 | 2.190 |
| Rmerge | 0.065 | 0.200 |
| Number of reflections | 59117 | |
| <I/σ(I)> | 13.5 | 3.7 |
| Completeness [%] | 97.8 | 93.1 |
| Redundancy | 3.3 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.2 M Calcium chloride, 0.1 M HEPES, 28% PEG400, 0.1 M EDTA, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
