5I11
Crystal structure of the intertwined form of the Src tyrosine kinase SH3 domain T114S-Q128R mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-10-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 46.735, 46.735, 127.907 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.988 - 1.950 |
R-factor | 0.1889 |
Rwork | 0.187 |
R-free | 0.21820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jz3 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.669 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.17) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.990 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.064 | 0.754 |
Number of reflections | 11377 | |
<I/σ(I)> | 27.8 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 12.6 | 13.3 |
CC(1/2) | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 298 | 0.1M SODIUM ACETATE, 1.9M AMMONIUM SULPHATE, 5% PEG 400, 10% GLYCEROL, PH 5.0 |