7WVA
Crystal structure of mouse Cryptochrome 1 in complex with TH401 compound
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 | 2020-04-10 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.916, 78.195, 132.818 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 67.380 - 2.050 |
R-factor | 0.1911 |
Rwork | 0.190 |
R-free | 0.22040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6kx4 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.779 |
Data reduction software | xia2 |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.180 | 2.160 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.077 | 0.475 |
Rmeas | 0.083 | 0.512 |
Rpim | 0.030 | 0.187 |
Number of reflections | 30136 | 4271 |
<I/σ(I)> | 13.7 | 3 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 7.4 | 7.2 |
CC(1/2) | 0.999 | 0.891 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.25 M NH4Cl, 22% w/v PEG 3350, 3% v/v Ethylene glycol |