6XZH
Structure of zVDR LBD-Calcitriol in complex with chimera 10
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-09-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 66.090, 66.090, 260.140 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.527 - 2.372 |
| R-factor | 0.225 |
| Rwork | 0.222 |
| R-free | 0.28230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hc4 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.197 |
| 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] | 20.527 | 2.460 |
| High resolution limit [Å] | 2.370 | 2.370 |
| Rpim | 0.038 | 0.809 |
| Number of reflections | 14448 | 1366 |
| <I/σ(I)> | 12.29 | 0.88 |
| Completeness [%] | 99.0 | 96.87 |
| Redundancy | 6 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 | Sodium acetate 2.5 M, Hepes 100 mM |
