4YNK
Crystal structure of vitamin D receptor ligand binding domain complexed with a 19-norvitamin D compound
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 | 2014-04-21 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 157.437, 37.290, 41.121 |
Unit cell angles | 90.00, 98.47, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.300 |
Rwork | 0.202 |
R-free | 0.25710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zl9 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS (1.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.240 |
High resolution limit [Å] | 2.200 | 5.970 | 2.200 |
Rmerge | 0.128 | 0.048 | 0.679 |
Rmeas | 0.151 | 0.057 | 0.806 |
Rpim | 0.080 | 0.030 | 0.430 |
Total number of observations | 42675 | ||
Number of reflections | 12259 | ||
<I/σ(I)> | 7.3 | ||
Completeness [%] | 99.7 | 99.2 | 99.8 |
Redundancy | 3.5 | 3.4 | 3.4 |
CC(1/2) | 0.997 | 0.740 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | MOPS, Sodium Formate, PEG4000, Ethylene glycol |