8TU3
Bruton's tyrosine kinase in complex with covalent inhibitor compound 10
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-05-20 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 70.430, 104.610, 38.080 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.990 - 1.700 |
R-factor | 0.2301 |
Rwork | 0.228 |
R-free | 0.27670 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 0.778 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 31800 | 5056 |
<I/σ(I)> | 8.19 | |
Completeness [%] | 99.9 | |
Redundancy | 6.4 | |
CC(1/2) | 0.990 | 0.496 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | bis-tris pH 6.5, ammonium tartrate, PEG 3350 |