7V8Y
Crystal structure of mouse CRY2 in complex with SHP1703 compound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-24 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.98 |
Spacegroup name | P 65 |
Unit cell lengths | 77.737, 77.737, 159.158 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.870 - 1.900 |
R-factor | 0.1683 |
Rwork | 0.166 |
R-free | 0.20630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6kx8 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.000 |
Data reduction software | xia2 |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.180 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.060 | 0.496 |
Rmeas | 0.061 | 0.509 |
Rpim | 0.013 | 0.112 |
Number of reflections | 42509 | 6134 |
<I/σ(I)> | 29.1 | 6 |
Completeness [%] | 99.9 | 99.2 |
Redundancy | 20 | 19.9 |
CC(1/2) | 1.000 | 0.971 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1 M HEPES pH 7.0, 0.15 M NaCl, 12% PEG 3350 |