6FT7
Crystal structure of CLK3 in complex with compound 8a
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 | 2012-05-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.760, 116.830, 69.910 |
| Unit cell angles | 90.00, 92.75, 90.00 |
Refinement procedure
| Resolution | 58.410 - 2.020 |
| R-factor | 0.19395 |
| Rwork | 0.192 |
| R-free | 0.23523 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2eu9 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.609 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.950 | 2.130 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.091 | 0.668 |
| Number of reflections | 62659 | 9103 |
| <I/σ(I)> | 8 | 2.1 |
| Completeness [%] | 96.7 | 96 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277.15 | 21% PEG3350, 0.2 M sodium iodide, 0.1 M bis-tris-propane pH 7.0, 10% ethylene glycol |
