8P9W
vitamin D receptor complex with Xe4MeCF3 analog
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 | 2014-04-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 65.820, 65.820, 263.220 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 23.897 - 2.900 |
R-factor | 0.1802 |
Rwork | 0.177 |
R-free | 0.23360 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.153 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (dev_1796) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.900 | 3.320 |
High resolution limit [Å] | 2.900 | 2.900 |
Number of reflections | 8205 | 2619 |
<I/σ(I)> | 10.8 | |
Completeness [%] | 99.5 | |
Redundancy | 4.5 | |
CC(1/2) | 1.000 | 0.920 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M BTP pH 7.0, 3 M NaOAc |