4RTV
Crystal structure of the Src tyrosine kinase SH3 domain S94A/Q128R mutant in complex with the high affinity synthetic peptide APP12
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 | 2011-01-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979491 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 31.559, 31.559, 106.715 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.331 - 1.370 |
R-factor | 0.1511 |
Rwork | 0.150 |
R-free | 0.17830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jz4 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.207 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.2.17) |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.570 | 35.570 | 1.390 |
High resolution limit [Å] | 1.370 | 7.250 | 1.370 |
Rmerge | 0.047 | 0.036 | 0.424 |
Total number of observations | 785 | 5452 | |
Number of reflections | 13685 | ||
<I/σ(I)> | 26.1 | 47.4 | 5.3 |
Completeness [%] | 99.7 | 98.4 | 94.9 |
Redundancy | 9 | 6.1 | 8.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 0.1M sodium acetate, 1.5M ammonium sulphate, 5% PEG 300, 10% Glycerol, pH 5.0, vapor diffusion, hanging drop, temperature 298K |