3VRV
VDR ligand binding domain in complex with 2-Methylidene-26,27-dimethyl-19,24-dinor-1alpha,25-dihydroxyvitamin D3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2010-10-11 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 154.140, 42.770, 42.120 |
| Unit cell angles | 90.00, 95.42, 90.00 |
Refinement procedure
| Resolution | 29.740 - 1.900 |
| R-factor | 0.2111 |
| Rwork | 0.209 |
| R-free | 0.24820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.870 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 76.725 | 29.738 | 2.000 |
| High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
| Rmerge | 0.027 | 0.343 | |
| Rmeas | 0.032 | 0.400 | |
| Rpim | 0.017 | 0.205 | |
| Total number of observations | 1536 | 11294 | |
| Number of reflections | 20511 | ||
| <I/σ(I)> | 15.6 | 33.3 | 3.7 |
| Completeness [%] | 94.6 | 66.7 | 95.1 |
| Redundancy | 3.7 | 3.2 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | MES-Na, Na-Formate, PEG 4000, Ethyleneglycol, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
