3VK5
Crystal structure of MoeO5 in complex with its product FPG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.999, 84.516, 59.581 |
| Unit cell angles | 90.00, 112.29, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.390 |
| R-factor | 0.1711 |
| Rwork | 0.168 |
| R-free | 0.18900 |
| Structure solution method | MIR |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.949 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.440 |
| High resolution limit [Å] | 1.390 | 1.390 |
| Rmerge | 0.069 | 0.556 |
| Number of reflections | 105467 | |
| <I/σ(I)> | 24.8 | 3.4 |
| Completeness [%] | 97.5 | 95.5 |
| Redundancy | 5.1 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 22% PEG 3350, 0.2M Na-malonate, 10mM MgCl2, 5mM geranylgeranyl pyrophosphate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
