2CYY
Crystal structure of PH1519 from Pyrococcus horikosii OT3
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-10-26 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 0.97901, 0.97940, 0.96000 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 130.573, 130.573, 47.716 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.580 - 1.800 |
| R-factor | 0.22 |
| Rwork | 0.219 |
| R-free | 0.24500 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| 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 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.076 | 0.354 |
| Number of reflections | 22776 | |
| <I/σ(I)> | 17.1 | 8.84 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 23.1 | 21.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 8.5 | 291 | 25.5% PEG4000, 0.085M Tris-HCl, 0.17M Li2(SO4), 15% Glycerol, pH 8.5, Microbatch, temperature 291K |
