1RJK
crystal structure of the rat vitamin D receptor ligand binding domain complexed with 2MD and a synthetic peptide containing the NR2 box of DRIP 205
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-10-27 |
| Detector | BRUKER PROTEUM R |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 154.600, 43.292, 41.848 |
| Unit cell angles | 90.00, 96.07, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.990 |
| R-factor | 0.18814 |
| Rwork | 0.185 |
| R-free | 0.24433 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1db1 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.394 |
| Data reduction software | SAINT |
| Data scaling software | LSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.070 | 2.080 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Number of reflections | 18940 | |
| <I/σ(I)> | 10.8 | 3.5 |
| Completeness [%] | 99.0 | 96 |
| Redundancy | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | PEG 4000, MOPS, ammonium citrate, isopropanol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
