7F61
Crystal structure of human histamine receptor H3R in complex with antagonist PF03654746
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0330 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 71.124, 165.624, 42.651 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.896 - 2.600 |
Rwork | 0.229 |
R-free | 0.28460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4u15 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.640 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.146 | 0.610 |
Number of reflections | 16071 | 1448 |
<I/σ(I)> | 6.78 | |
Completeness [%] | 98.5 | |
Redundancy | 5.2 | |
CC(1/2) | 0.982 | 0.522 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 294 | 100mM sodium cacodylate trihydrate, pH6.4, 90mM sodium citrate, 34% PEG400, 2% Dichloromethane |