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 |