2PCH
Crystal structure of PH0725 from Pyrococcus horikoshii OT3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-12-11 |
| Detector | RIGAKU RAXIS V |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 105.428, 105.428, 138.464 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.240 - 2.000 |
| R-factor | 0.202 |
| Rwork | 0.202 |
| R-free | 0.22100 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | PND ENTRY 1WNG |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.073 | 0.637 |
| Number of reflections | 53341 | |
| <I/σ(I)> | 11.2 | 4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.8 | 11.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | oil microbatch | 6.5 | 295 | 1.87M sodium malonate, 0.1M citrate, pH 6.5, oil microbatch, temperature 295K |
