2P5C
Crystal structure of PH0725 from Pyrococcus horikoshii OT3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-10-30 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 105.729, 105.729, 139.513 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.191 |
| Rwork | 0.191 |
| R-free | 0.22500 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 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] | 20.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.050 | 0.366 |
| Number of reflections | 31599 | |
| <I/σ(I)> | 16.5 | 6.94 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 12.9 | 11.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.5 | 291 | 1.87M Sodium malonate, 0.1M Citric acid, pH 6.5, MICROBATCH, temperature 291K |
