2O31
Crystal structure of the second SH3 domain from ponsin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-06-21 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8125 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.661, 35.499, 71.079 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 13.360 - 1.500 |
| R-factor | 0.13195 |
| Rwork | 0.131 |
| R-free | 0.16182 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w70 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.611 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 14.000 | 1.520 |
| High resolution limit [Å] | 1.500 | 1.490 |
| Rmerge | 0.065 | 0.229 |
| Number of reflections | 10707 | |
| <I/σ(I)> | 23.1 | 7.8 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 5.9 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 292 | 15% v/v Tascinamine, 0.1M HEPES, 2% w/v PEG 3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
