6KX7
Crystal structure of mouse Cryptochrome 1 in complex with TH301 compound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-10-05 |
Detector | Bruker DIP-6040 |
Wavelength(s) | 0.9 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 79.410, 111.180, 145.270 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.840 - 2.100 |
R-factor | 0.2045 |
Rwork | 0.203 |
R-free | 0.22930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6kx4 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.898 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.210 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.079 | 0.594 |
Rmeas | 0.092 | 0.689 |
Rpim | 0.046 | 0.343 |
Number of reflections | 37430 | 5385 |
<I/σ(I)> | 9.8 | 2.5 |
Completeness [%] | 99.1 | |
Redundancy | 3.7 | |
CC(1/2) | 0.996 | 0.743 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 20% (w/v) PEG3350, 200 mM NH4Cl |