6J21
Crystal structure of the human NK1 substance P receptor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-23 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 103.110, 103.110, 158.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.980 - 3.200 |
| R-factor | 0.219 |
| Rwork | 0.217 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4u15 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.460 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.150 | 0.770 |
| Number of reflections | 13746 | 2038 |
| <I/σ(I)> | 9.8 | |
| Completeness [%] | 93.7 | 97.9 |
| Redundancy | 12.1 | 9.8 |
| CC(1/2) | 0.990 | 0.770 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | 0.1M MES, pH 6.0-6.6, 25-35% PEG 400, 200-350mM ammonium tartrate dibasic |
