4F5B
Triple mutant Src SH2 domain bound to phosphotyrosine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 114 |
Detector technology | IMAGE PLATE |
Collection date | 2011-10-26 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 61 |
Unit cell lengths | 67.600, 67.600, 46.800 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.510 - 1.570 |
R-factor | 0.1996 |
Rwork | 0.198 |
R-free | 0.23030 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.441 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.514 | 20.004 | 1.650 |
High resolution limit [Å] | 1.570 | 4.960 | 1.570 |
Rmerge | 0.045 | 0.266 | |
Total number of observations | 4050 | 19932 | |
Number of reflections | 15470 | ||
<I/σ(I)> | 30.2 | 13.1 | 2.9 |
Completeness [%] | 90.2 | 92.3 | 100 |
Redundancy | 8.2 | 7.6 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 277 | 0.1 M Tris-HCl, 18% PEG6000, 0.2 M lithium chloride, pH 7.6, vapor diffusion, sitting drop, temperature 277K |