5AWJ
Crystal structure of VDR-LBD/partial agonist complex: 22S-hexyl analogue
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-04 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 153.477, 43.447, 42.317 |
| Unit cell angles | 90.00, 100.53, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.200 |
| R-factor | 0.21623 |
| Rwork | 0.214 |
| R-free | 0.25993 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.672 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.200 |
| Number of reflections | 14125 |
| <I/σ(I)> | 35.3 |
| Completeness [%] | 98.1 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | MOPS-Na, Na-Formate, PEG 4000, Ethyleneglycol |
