6KX5
Crystal structure of mouse Cryptochrome 1 in complex with KL044 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 | 2017-06-04 |
Detector | Bruker DIP-6040 |
Wavelength(s) | 0.9 |
Spacegroup name | P 1 |
Unit cell lengths | 44.410, 54.400, 61.420 |
Unit cell angles | 63.90, 88.99, 83.65 |
Refinement procedure
Resolution | 35.040 - 2.000 |
R-factor | 0.1793 |
Rwork | 0.176 |
R-free | 0.23030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6kx4 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.868 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.040 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.518 | |
Rmeas | 0.266 | |
Rpim | 0.134 | |
Number of reflections | 34078 | 4936 |
<I/σ(I)> | 4.6 | 2.4 |
Completeness [%] | 98.3 | |
Redundancy | 4 | |
CC(1/2) | 0.930 | 0.660 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% w/v PEG 3350, 3% v/v ethylene glycol, 200 mM NH4Cl |