6L8L
C-Src in complex with ibrutinib
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2016-12-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.987 |
Spacegroup name | P 1 |
Unit cell lengths | 42.604, 63.407, 113.922 |
Unit cell angles | 89.97, 89.94, 90.03 |
Refinement procedure
Resolution | 42.383 - 2.888 |
R-factor | 0.2411 |
Rwork | 0.238 |
R-free | 0.28640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4u5j |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.15.2_3472) |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.600 | 2.991 |
High resolution limit [Å] | 2.888 | 2.888 |
Rmerge | 0.147 | 0.563 |
Rmeas | 0.171 | |
Number of reflections | 25440 | 2149 |
<I/σ(I)> | 11.79 | 7.35 |
Completeness [%] | 95.1 | 80.67 |
Redundancy | 3.8 | 3.8 |
CC(1/2) | 0.985 | 0.869 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | PEG 4000 |