6BSD
DDR1 bound to Dasatinib
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-23 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.075 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.669, 72.342, 74.656 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.545 - 2.606 |
R-factor | 0.1858 |
Rwork | 0.178 |
R-free | 0.25520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bkj |
RMSD bond length | 0.009 |
RMSD bond angle | 1.162 |
Data reduction software | HKL-2000 |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.600 | 2.699 |
High resolution limit [Å] | 2.606 | 2.606 |
Rmerge | 0.174 | |
Number of reflections | 10658 | 1024 |
<I/σ(I)> | 13.3 | |
Completeness [%] | 99.8 | 98 |
Redundancy | 13.2 | 8 |
CC(1/2) | 0.946 | 0.717 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 18% PEG 3350 and 0.1 M Bis-Tris pH 5.5 |