6XZJ
Structure of zVDR LBD-Calcitriol in complex with chimera 12
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 66.200, 66.200, 254.220 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.040 - 2.100 |
R-factor | 0.2042 |
Rwork | 0.202 |
R-free | 0.24680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hc4 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.736 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.040 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rpim | 0.024 | 0.722 |
Number of reflections | 19740 | 1757 |
<I/σ(I)> | 16.74 | |
Completeness [%] | 97.2 | |
Redundancy | 14 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | NaAcetate 3M, 0.1 M Tris pH 7.5 |