3VHW
Crystal structure of the human vitamin D receptor ligand binding domain complexed with 4-MP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL32B2 |
Synchrotron site | SPring-8 |
Beamline | BL32B2 |
Detector technology | CCD |
Collection date | 2006-12-22 |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.975, 51.470, 131.264 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.870 - 2.430 |
R-factor | 0.19191 |
Rwork | 0.189 |
R-free | 0.24696 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1db1 |
RMSD bond length | 0.019 |
RMSD bond angle | 2.119 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.500 |
High resolution limit [Å] | 2.430 | 2.430 |
Number of reflections | 11862 | |
<I/σ(I)> | 2.51 | |
Completeness [%] | 99.2 | 99.2 |
Redundancy | 2.4 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1M MES, 1.2-1.6M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |