6LI1
Crystal structure of GPR52 ligand free form with flavodoxin fusion
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 | 2019-07-01 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.648, 79.891, 148.304 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.430 - 2.900 |
R-factor | 0.24548 |
Rwork | 0.244 |
R-free | 0.26677 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Rosetta modelling |
RMSD bond length | 0.008 |
RMSD bond angle | 1.541 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.000 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.235 | 2.748 |
Number of reflections | 18312 | 1810 |
<I/σ(I)> | 11.8 | 0.98 |
Completeness [%] | 97.6 | |
Redundancy | 9.2 | |
CC(1/2) | 0.991 | 0.400 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 5 | 293 | 0.1 M potassium acetate, 0.1 M sodium citrate pH 5.0, and 30% PEG400 |