3I9Q
Crystal Structure of the triple mutant S19G-P20D-R21S of alpha spectrin SH3 domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM16 |
| Synchrotron site | ESRF |
| Beamline | BM16 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-03 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 42.231, 42.231, 93.655 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.450 |
| R-factor | 0.232 |
| Rwork | 0.232 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1shg |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.371 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MrBUMP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.500 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.063 | 0.433 |
| Number of reflections | 15182 | |
| <I/σ(I)> | 19.3 | 6.82 |
| Completeness [%] | 95.8 | 99.9 |
| Redundancy | 13.4 | 13.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 2 M ammonium sulphate, 0.1 M MES pH 6.5, vapor diffusion, hanging drop, temperature 298K |
