1X42
Crystal structure of a haloacid dehalogenase family protein (PH0459) 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 | CCD |
| Collection date | 2004-10-28 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 0.97890, 0.97930, 0.96000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.113, 71.272, 53.615 |
| Unit cell angles | 90.00, 93.51, 90.00 |
Refinement procedure
| Resolution | 42.800 - 2.000 |
| Rwork | 0.166 |
| R-free | 0.20700 |
| Structure solution method | MAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.600 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 17044 | |
| <I/σ(I)> | 12.027 | 4.996 |
| Completeness [%] | 99.3 | 98.8 |
| Redundancy | 3.676 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Oil batch | 7 | 293 | 0.1M Tris-HCl, 0.88M tri-Sodium Citrate, pH 7.0, Oil batch, temperature 293K |
