4OTF
Crystal structure of the kinase domain of Bruton's Tyrosine kinase with GDC0834
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-16 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97787 |
| Spacegroup name | P 61 |
| Unit cell lengths | 108.507, 108.507, 42.221 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.980 - 1.950 |
| R-factor | 0.16721 |
| Rwork | 0.165 |
| R-free | 0.20251 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdb code 3OCS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.464 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 20873 | |
| <I/σ(I)> | 14.7 | 3.3 |
| Completeness [%] | 99.7 | 99.3 |
| Redundancy | 5.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 286 | 1 uL protein solution (8.1 mg/mL in 10 mM Tris pH 8.5, 100 mM NaCl, 0.5 mM TCEP, 1 mM GDC0834) and 1 uL reservoir solution of 14% PEG 4000, 0.2 M Ammonium Sulfate, 0.1 M Na Acetate-Acetate pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 286K |
