4PSU
Crystal structure of alpha/beta hydrolase from Rhodopseudomonas palustris CGA009
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 80.013, 87.425, 93.702 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.961 - 2.200 |
| R-factor | 0.1827 |
| Rwork | 0.181 |
| R-free | 0.22120 |
| Structure solution method | SAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.846 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.077 | |
| Number of reflections | 16885 | |
| <I/σ(I)> | 15 | |
| Completeness [%] | 99.3 | 98.1 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | 0.2 M potassium thiocyanate, 20% PEG3350, 4% Jeffmine M-600, 1/300 trypsin, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
