6KPC
Crystal structure of an agonist bound GPCR
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 | 2018-10-19 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 33.960, 140.220, 156.260 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.780 - 3.200 |
R-factor | 0.231 |
Rwork | 0.230 |
R-free | 0.26200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5zty |
RMSD bond length | 0.009 |
RMSD bond angle | 1.030 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.780 | 44.780 | 3.280 |
High resolution limit [Å] | 3.200 | 14.310 | 3.200 |
Rmerge | 0.171 | 0.074 | 0.673 |
Rmeas | 0.200 | 0.086 | 0.789 |
Total number of observations | 32673 | ||
Number of reflections | 11476 | 134 | 853 |
<I/σ(I)> | 4.26 | 9.88 | 1.22 |
Completeness [%] | 87.6 | 71.3 | 90.4 |
Redundancy | 2.847 | 2.978 | 2.796 |
CC(1/2) | 0.986 | 0.995 | 0.627 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 293 | 100 mM HEPES sodium pH 7.0, 25% PEG 400, 220 mM Sodium sulfate decahydrate |