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 |
