3QRI
The crystal structure of human abl1 kinase domain in complex with DCC-2036
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] | 100 |
Detector technology | CCD |
Collection date | 2006-06-07 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.260, 59.700, 79.430 |
Unit cell angles | 90.00, 108.71, 90.00 |
Refinement procedure
Resolution | 57.080 - 2.100 |
R-factor | 0.216 |
Rwork | 0.213 |
R-free | 0.27200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Abl kinase |
RMSD bond length | 0.009 |
RMSD bond angle | 1.438 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.000 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 31426 | |
<I/σ(I)> | 13.1 | 2.6 |
Completeness [%] | 97.4 | 84.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.2 | 290 | 32% PEG 3000, 100MM TRIS PH 8.2, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K |