2HOQ
Crystal structure of the probable haloacid dehalogenase (PH1655) from pyrococcus horikoshii OT3
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-05-15 |
| Detector | RIGAKU RAXIS V |
| Wavelength(s) | 0.97903, 0.97938, 1.0000 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 59.534, 70.723, 120.044 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.580 - 1.700 |
| R-factor | 0.215 |
| Rwork | 0.215 |
| R-free | 0.24800 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.087 | 0.290 |
| Number of reflections | 27575 | |
| Completeness [%] | 97.8 | 99.8 |
| Redundancy | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 0.1M MES, 0.05M Cesium chloride and 25-30% Jeffamine M-600, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
