5HU9
Crystal structure of ABL1 in complex with CHMFL-074
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-05-04 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97930 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 37.852, 108.435, 146.295 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.557 - 1.529 |
R-factor | 0.1862 |
Rwork | 0.186 |
R-free | 0.19610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cs9 |
RMSD bond length | 0.064 |
RMSD bond angle | 1.680 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.560 |
High resolution limit [Å] | 1.529 | 1.529 |
Rmerge | 0.028 | |
Number of reflections | 44923 | |
<I/σ(I)> | 27.1 | |
Completeness [%] | 97.7 | |
Redundancy | 12 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.1M Potassium thiocyanate, 28% PEG2000 |