4Y93
Crystal structure of the PH-TH-kinase construct of Bruton's tyrosine kinase (Btk)
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 | 2014-04-16 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 38.328, 78.647, 157.569 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.678 - 1.695 |
R-factor | 0.1585 |
Rwork | 0.157 |
R-free | 0.19480 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.156 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX (dev_1839) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
High resolution limit [Å] | 1.695 | 3.660 | 1.695 |
Rmerge | 0.121 | 0.066 | 0.776 |
Rmeas | 0.129 | 0.071 | 0.832 |
Rpim | 0.045 | 0.024 | 0.293 |
Total number of observations | 414976 | ||
Number of reflections | 53359 | ||
<I/σ(I)> | 9.8 | ||
Completeness [%] | 99.2 | 100 | 98.7 |
Redundancy | 7.9 | 8.2 | 7.5 |
CC(1/2) | 0.997 | 0.889 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 200mM NaCl, 50mM MgCl2, 20% PEG3350, 1mM IP3 |