8PWF
crystal structure of VDR in complex with Des-C-Ring and Aromatic-D-Ring analog 2
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 | 65.599, 65.599, 264.121 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.740 - 2.300 |
R-factor | 0.2094 |
Rwork | 0.206 |
R-free | 0.26510 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.859 |
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] | 47.740 | 2.382 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 15928 | 1537 |
<I/σ(I)> | 19.28 | |
Completeness [%] | 98.8 | |
Redundancy | 20 | |
CC(1/2) | 1.000 | 0.775 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | LiSO4 1.6M, Hepes 0.1M pH 7.5 |