6DI0
CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH FRAGMENT LIGAND
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X3A |
Synchrotron site | NSLS |
Beamline | X3A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-04 |
Detector | MAR CCD 130 mm |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 72.042, 104.139, 38.065 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.300 |
Rwork | 0.180 |
R-free | 0.20160 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.111 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.350 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.082 | 0.777 |
Number of reflections | 69905 | 7541 |
<I/σ(I)> | 21.82 | 1.33 |
Completeness [%] | 97.8 | 82.5 |
Redundancy | 7 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 294 | ID : MSC2267302.1 |