4Y94
Crystal structure of the PH-TH module of Bruton's tyrosine kinase bound to inositol hexakisphosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 37.203, 64.012, 80.029 |
Unit cell angles | 82.08, 88.79, 89.89 |
Refinement procedure
Resolution | 46.483 - 2.400 |
R-factor | 0.2311 |
Rwork | 0.229 |
R-free | 0.25530 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.167 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.390 |
High resolution limit [Å] | 2.310 | 4.980 | 2.310 |
Rmerge | 0.060 | 0.042 | 0.538 |
Rmeas | 0.082 | 0.056 | 0.748 |
Rpim | 0.055 | 0.037 | 0.519 |
Total number of observations | 61653 | ||
Number of reflections | 30522 | ||
<I/σ(I)> | 12.4 | ||
Completeness [%] | 94.9 | 98.9 | 71.8 |
Redundancy | 2 | 2 | 1.7 |
CC(1/2) | 0.995 | 0.554 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 25% PEG 1500, 0.1 M DL-malic acid, 3 mM potasium myo-inositol hexakisphosphate |