1WWZ
Crystal structure of PH1933 from Pyrococcus horikoshii OT3
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-03-11 |
| Detector | RIGAKU RAXIS V |
| Wavelength(s) | 1.0, 0.97907 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.504, 56.026, 125.774 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.280 - 1.750 |
| R-factor | 0.213 |
| Rwork | 0.212 |
| R-free | 0.23600 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| 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 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.081 | 0.419 |
| Number of reflections | 38152 | |
| <I/σ(I)> | 10 | 4.11 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.9 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.5 | 291 | HEPES-Na, iso-Propanol, PEG 4000, Glycerol, Acetyl-CoA, pH 7.5, MICROBATCH, temperature 291K |
