8PWM
Crystal structure of VDR in complex with Des-C-Ring and Aromatic-D-Ring analog 3b
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-02 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.98 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 65.849, 65.849, 264.213 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.810 - 2.300 |
R-factor | 0.2013 |
Rwork | 0.196 |
R-free | 0.25170 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond angle | 1.063 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 16042 | 1566 |
<I/σ(I)> | 13.2 | |
Completeness [%] | 100.0 | |
Redundancy | 20 | |
CC(1/2) | 1.000 | 0.645 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | NaAcetate 2.5M, BisTris 0.1M pH 7 |