7D19
Crystal structure of mouse Cryptochrome 1 in complex with compound TH129
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 | 2019-06-05 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.98 |
Spacegroup name | P 32 |
Unit cell lengths | 81.139, 81.139, 141.780 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.570 - 2.350 |
R-factor | 0.1912 |
Rwork | 0.189 |
R-free | 0.23010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6kx4 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.789 |
Data reduction software | xia2 (0.6.467) |
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] | 62.780 | 2.480 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.087 | 0.483 |
Rmeas | 0.103 | 0.569 |
Rpim | 0.054 | 0.298 |
Number of reflections | 43127 | 6262 |
<I/σ(I)> | 8.2 | 2.6 |
Completeness [%] | 99.9 | 100 |
Redundancy | 3.5 | 3.6 |
CC(1/2) | 0.995 | 0.771 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.15-0.35 M NH4Cl, 30% w/v PEG 3350, 3% v/v Ethylene glycol |