3M0U
Crystal Structure of the R21D mutant of alpha-spectrin SH3 domain. Hexagonal crystal obtained in sodium formate at pH 6.5.
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 | 2008-03-04 |
| Detector | CCD ADSC_Q210 |
| Wavelength(s) | 0.97752 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 42.929, 42.929, 127.486 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.100 |
| R-factor | 0.158 |
| Rwork | 0.157 |
| R-free | 0.16800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1shg |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.979 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.190 | 1.140 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.073 | 0.094 |
| Number of reflections | 27903 | |
| <I/σ(I)> | 12.8 | 7.1 |
| Completeness [%] | 95.1 | 81.9 |
| Redundancy | 4.3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | batch, under oil | 6.5 | 298 | 2 M sodium formate, 0.1 M MES pH 6.5, batch, under oil, temperature 298K |
