6I5I
Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound 12h
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-08 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.99000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 91.960, 64.010, 81.160 |
Unit cell angles | 90.00, 122.71, 90.00 |
Refinement procedure
Resolution | 49.320 - 1.600 |
R-factor | 0.16551 |
Rwork | 0.164 |
R-free | 0.19557 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6g33 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.623 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.320 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.069 | 0.508 |
Number of reflections | 51989 | 7542 |
<I/σ(I)> | 8.5 | 2.2 |
Completeness [%] | 99.4 | 99.5 |
Redundancy | 2.9 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 277 | 20% PEG 6000, 0.1M bicine pH 9.0 |