6DI1
CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT FRAGMENT LIGAND
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | OTHER |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-09-07 |
Detector | DECTRIS PILATUS3 X 1M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 72.250, 104.170, 38.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.100 |
R-factor | 0.1738 |
Rwork | 0.173 |
R-free | 0.18610 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.029 |
RMSD bond angle | 2.371 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.130 |
High resolution limit [Å] | 1.100 | 1.102 |
Rmeas | 0.045 | 0.216 |
Number of reflections | 113484 | 15536 |
<I/σ(I)> | 22.36 | 5.16 |
Completeness [%] | 97.0 | 83 |
Redundancy | 5.93 | 3.34 |
CC(1/2) | 0.999 | 0.963 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294 | RESERVOIR SOLUTION : 25% PEG 3350, 0.2M AMMONIUM ACETATE, 0.1M HEPES pH 6.9, 3% GLYCEROL PROTEIN SOLUTION : 10 mg/mL IN 20 mM TRIS, 50 mM NACL, 3 mM DTT, pH 8.0 |