7WF5
c-Src in complex with ponatinib
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-01-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 |
Unit cell lengths | 41.927, 63.632, 74.505 |
Unit cell angles | 79.14, 89.50, 88.80 |
Refinement procedure
Resolution | 30.909 - 1.798 |
R-factor | 0.1629 |
Rwork | 0.162 |
R-free | 0.18260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oiq |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.830 |
High resolution limit [Å] | 1.798 | 1.798 |
Rmerge | 0.087 | 0.858 |
Rmeas | 0.101 | |
Rpim | 0.051 | 0.512 |
Number of reflections | 68050 | 3354 |
<I/σ(I)> | 23.23 | |
Completeness [%] | 96.8 | 95.9 |
Redundancy | 3.8 | 3.7 |
CC(1/2) | 0.685 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1M MES (pH 6.4), 50mM sodium acetate, 10mM MgCl2, 2% glycerol, 8% PEG 4000 |