7D2K
Crystal structure of rat TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor Br-cis-22a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-12 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 146.228, 146.228, 114.648 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.120 - 3.698 |
| R-factor | 0.3168 |
| Rwork | 0.316 |
| R-free | 0.32740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5wo7 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.524 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.129 | 3.900 |
| High resolution limit [Å] | 3.600 | 3.600 |
| Number of reflections | 14416 | 2587 |
| <I/σ(I)> | 1.45 | |
| Completeness [%] | 99.1 | 96.2 |
| Redundancy | 8.13 | |
| CC(1/2) | 0.990 | 0.610 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 150 mM nacl, 100 mM TRIS, 22% PEG 350 |
