2D7U
Crystal structure of hypothetical adenylosuccinate synthetase, PH0438 from Pyrococcus horikoshii OT3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-08-27 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 32 1 2 |
| Unit cell lengths | 57.200, 57.200, 170.900 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.580 - 2.500 |
| R-factor | 0.236 |
| Rwork | 0.236 |
| R-free | 0.28500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1soo |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.700 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Number of reflections | 11717 | |
| <I/σ(I)> | 38.2 | 6.2 |
| Completeness [%] | 96.5 | 64.6 |
| Redundancy | 10.2 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | OIL BATCH | 8.7 | 291 | 13.5% PEG 20000, 0.1M Tris-HCl, pH 8.7, OIL BATCH, temperature 291K |
