3UA7
Crystal Structure of the Human Fyn SH3 domain in complex with a peptide from the Hepatitis C virus NS5A-protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-05-24 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 51.390, 51.390, 185.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.500 |
R-factor | 0.1899 |
Rwork | 0.185 |
R-free | 0.23140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1shf |
RMSD bond length | 0.018 |
RMSD bond angle | 1.877 |
Data reduction software | MOSFLM (3.3.16) |
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] | 49.526 | 19.540 | 1.530 |
High resolution limit [Å] | 1.450 | 4.590 | 1.450 |
Rmerge | 0.095 | 0.081 | 0.454 |
Total number of observations | 6300 | 36494 | |
Number of reflections | 44446 | ||
<I/σ(I)> | 9.1 | 6.7 | 1.6 |
Completeness [%] | 98.3 | 85.2 | 100 |
Redundancy | 5.4 | 4.5 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 4 M sodium formate, 10 mM zinc chloride, 0.1 M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |