4RX5
Bruton's tyrosine kinase (BTK) with pyridazinone compound 23
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 110 |
Detector technology | PIXEL |
Collection date | 2014-06-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 61 |
Unit cell lengths | 108.300, 108.300, 42.422 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.650 - 1.356 |
R-factor | 0.1609 |
Rwork | 0.160 |
R-free | 0.17860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3p08 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.064 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 38.650 |
High resolution limit [Å] | 1.356 |
Number of reflections | 61256 |
<I/σ(I)> | 26.1 |
Completeness [%] | 99.1 |
Redundancy | 9.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | PEG 10000, Li2SO4, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |