3RZE
Structure of the human histamine H1 receptor in complex with doxepin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-10-01 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.97780 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 88.144, 88.144, 331.654 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.500 - 3.100 |
| R-factor | 0.217 |
| Rwork | 0.214 |
| R-free | 0.24860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rh1 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.210 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.500 | 3.400 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.140 | 0.830 |
| Number of reflections | 12152 | |
| <I/σ(I)> | 14.2 | 2 |
| Completeness [%] | 97.3 | 98.8 |
| Redundancy | 4.6 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | 293 | 26-30% PEG400, 300mM ammonium phosphate, 10mM MgCl2, 100mM Na-citrate pH 4.5, 1mM doxepin, Lipidic cubic phase, 293K |
