3ICJ
Crystal structure of an uncharacterized metal-dependent hydrolase from pyrococcus furiosus
Replaces: 3ETKExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-03 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 58.869, 116.438, 169.660 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.950 |
| R-factor | 0.20903 |
| Rwork | 0.207 |
| R-free | 0.26718 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.319 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHELXCD |
| Refinement software | REFMAC (5.5.0089) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.500 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.097 | 0.650 |
| Number of reflections | 42947 | |
| <I/σ(I)> | 12.4 | 2.4 |
| Completeness [%] | 96.6 | 94 |
| Redundancy | 12.5 | 13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 294 | 20% PEG 3350, 200MM MAGNESIUM FORMATE, 10% GLYCEROL, PH 7.0, VAPOR DIFFUSION, TEMPERATURE 294K |
