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 |