2PCM
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 | CCD |
| Collection date | 2006-11-21 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 105.101, 105.101, 139.968 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.150 - 2.400 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.21200 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 1wng |
| RMSD bond angle | 0.007 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS (1.1) |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.099 | 0.448 |
| Number of reflections | 31349 | |
| <I/σ(I)> | 6.3 | 4.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 17.7 | 18.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 5.5 | 291 | 3.85M Sodium Formate, 0.1M Acetic acid, pH 5.5, MICROBATCH, temperature 291K |
