2D8A
Crystal Structure of PH0655 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 | 2005-11-03 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 0.97924 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 85.084, 89.436, 122.413 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.410 - 2.050 |
| R-factor | 0.206 |
| Rwork | 0.204 |
| R-free | 0.23500 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| 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] | 30.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.063 | 0.267 |
| Number of reflections | 29497 | |
| <I/σ(I)> | 16.3 | 5.08 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 6.7 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 5.9 | 291 | 25% (v/v) 1,2-propanediol, 10% (v/v) glycerol, Imidazole pH 8.0, 0.2M Zn(OAc)2, pH 5.9, MICROBATCH, temperature 291K |
