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 |
