3F3W
Drug resistant cSrc kinase domain in complex with inhibitor RL45 (Type II)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2008-09-02 |
Detector | MARRESEARCH |
Wavelength(s) | 1.004730 |
Spacegroup name | P 1 |
Unit cell lengths | 42.060, 63.690, 75.120 |
Unit cell angles | 78.70, 87.02, 89.96 |
Refinement procedure
Resolution | 40.000 - 2.600 |
R-factor | 0.223 |
Rwork | 0.221 |
R-free | 0.27700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oiq |
RMSD bond length | 0.019 |
RMSD bond angle | 1.865 |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.700 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.066 | 0.270 |
Number of reflections | 23074 | 2442 |
<I/σ(I)> | 16.1 | 5.7 |
Completeness [%] | 98.2 | 97.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 10% PEG 20000, 15% glycerol, 85mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |