1SSH
Crystal structure of the SH3 domain from a S. cerevisiae hypothetical 40.4 kDa protein in complex with a peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-03-19 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9795 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 33.920, 33.920, 113.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.820 - 1.400 |
R-factor | 0.1652 |
Rwork | 0.163 |
R-free | 0.20250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oot |
RMSD bond length | 0.015 |
RMSD bond angle | 1.558 |
Data scaling software | XDS |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.500 |
High resolution limit [Å] | 1.400 | 1.400 |
Number of reflections | 13804 | |
<I/σ(I)> | 16.56 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | 2.9M sodium malonate, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 295K |