7DLI
Crystal structure of mouse CRY1 in complex with KL001 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 | 2017-06-30 |
Detector | Bruker DIP-6040 |
Wavelength(s) | 0.9 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.598, 134.824, 145.587 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.170 - 2.200 |
R-factor | 0.1921 |
Rwork | 0.190 |
R-free | 0.22990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6kx4 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.932 |
Data reduction software | xia2 (0.6.467) |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.380 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.072 | 0.368 |
Rmeas | 0.081 | 0.415 |
Rpim | 0.036 | 0.188 |
Number of reflections | 78355 | 11226 |
<I/σ(I)> | 12.2 | 4.8 |
Completeness [%] | 99.2 | 98.7 |
Redundancy | 5.2 | 5.2 |
CC(1/2) | 0.997 | 0.858 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 22% (w/v) PEG3350, 3% (v/v) ethylene glycol, 0.2 M NH4Cl |