3VKA
Crystal structure of MoeO5 soaked for 3 hours in FsPP
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 | 2011-08-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.598, 58.932, 58.765 |
| Unit cell angles | 97.62, 108.44, 112.52 |
Refinement procedure
| Resolution | 25.000 - 1.570 |
| R-factor | 0.1654 |
| Rwork | 0.163 |
| R-free | 0.19070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vk5 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.900 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.630 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Rmerge | 0.033 | 0.266 |
| Number of reflections | 70651 | |
| <I/σ(I)> | 42.4 | 6.4 |
| Completeness [%] | 96.8 | 95.1 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 22% PEG 3350, 0.2M Na-malonate, 10mM MgCl2, 20mM farnesyl thiopyrophosphate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
