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 |
