4RTU
Crystal structure of the intertwined form of the Src tyrosine kinase SH3 domain T96G/Q128R mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-04-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97620 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 46.735, 46.735, 128.729 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.990 - 2.453 |
R-factor | 0.2024 |
Rwork | 0.200 |
R-free | 0.24420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fj5 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.549 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.6) |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.990 | 19.990 | 2.550 |
High resolution limit [Å] | 2.450 | 8.840 | 2.450 |
Rmerge | 0.113 | 0.032 | 0.673 |
Total number of observations | 645 | 3424 | |
Number of reflections | 3463 | ||
<I/σ(I)> | 17.8 | 34.6 | 3.5 |
Completeness [%] | 99.8 | 91.7 | 100 |
Redundancy | 9.6 | 6.8 | 9.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 0.1M sodium acetate, 1.9M ammonium sulphate, 5% PEG 200, 10% Glycerol, pH 5.0, vapor diffusion, hanging drop, temperature 298K, VAPOR DIFFUSION, HANGING DROP |