3UA6
Crystal Structure of the Human Fyn SH3 domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-11-01 |
Detector | Bruker Microfocus (Montel Optics) |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 72.293, 47.074, 42.467 |
Unit cell angles | 90.00, 98.52, 90.00 |
Refinement procedure
Resolution | 19.660 - 1.850 |
R-factor | 0.1801 |
Rwork | 0.177 |
R-free | 0.24640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1shf |
RMSD bond length | 0.020 |
RMSD bond angle | 1.978 |
Data reduction software | SAINT |
Data scaling software | SAINT |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.998 | 1.950 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.027 | 0.151 |
Number of reflections | 11459 | |
<I/σ(I)> | 21.66 | 3.78 |
Completeness [%] | 94.1 | 72.4 |
Redundancy | 2.49 | 0.87 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 5.5 M sodium formate, 0.1 M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |