6XZI
Structure of zVDR LBD-calcitriol in complex with chimera 11
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 | 66.350, 66.350, 262.370 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 22.802 - 2.100 |
R-factor | 0.1916 |
Rwork | 0.191 |
R-free | 0.21160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hc4 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.015 |
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] | 22.802 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rpim | 0.032 | 0.472 |
Number of reflections | 20986 | 2018 |
<I/σ(I)> | 14.93 | 2.02 |
Completeness [%] | 99.5 | 99.11 |
Redundancy | 7.3 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 290 | NH4Acetate 3.5M, 0.1 M Tris pH 8 |