8CK5
VDR LBD complex with 25-nitro derivative of 1,25D3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-07-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 65.701, 65.701, 262.106 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.680 - 2.100 |
R-factor | 0.1932 |
Rwork | 0.191 |
R-free | 0.24280 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.060 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.680 | 2.175 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 20625 | 580 |
<I/σ(I)> | 12.91 | |
Completeness [%] | 81.9 | |
Redundancy | 12.6 | |
CC(1/2) | 0.997 | 0.895 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 50 mM Bis-Tris pH 6.5, 1.6 M lithium sulfate and 50 mM magnesium sulfate |