6DI5
CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.03300 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 74.033, 107.696, 39.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.550 - 1.420 |
| R-factor | 0.1786 |
| Rwork | 0.178 |
| R-free | 0.19470 |
| RMSD bond length | 0.027 |
| RMSD bond angle | 1.781 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.510 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.044 | 0.570 |
| Number of reflections | 59227 | |
| <I/σ(I)> | 23.9 | 3.21 |
| Completeness [%] | 98.4 | 95.9 |
| Redundancy | 6.5 | 6.48 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | 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 |
