2P2X
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 | 2006-10-16 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 105.010, 105.010, 139.209 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.750 - 2.900 |
| R-factor | 0.201 |
| Rwork | 0.201 |
| R-free | 0.23500 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1wng |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.400 |
| 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 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.065 | 0.279 |
| Number of reflections | 17870 | |
| <I/σ(I)> | 14.3 | 8.6 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 13.9 | 13.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | oil microbatch | 5.5 | 295 | 3.86M Sodium formate, 0.1M Acetate, pH 5.5, oil microbatch, temperature 295K |
