6XZV
Structure of zVDR LBD-Calcitriol in complex with chimera 18
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 | 2018-09-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 66.244, 66.244, 252.522 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.920 - 2.300 |
| R-factor | 0.2021 |
| Rwork | 0.199 |
| R-free | 0.23110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hc4 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.737 |
| 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] | 19.920 | 2.380 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rpim | 0.018 | 0.372 |
| Number of reflections | 15432 | 1492 |
| <I/σ(I)> | 25.56 | 2.06 |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 37.1 | 40 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 290 | Lithium sulfate 1.5 M |
