1UUE
a-SPECTRIN SH3 DOMAIN (V44T, D48G MUTANT)
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 | 2002-06-10 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 33.094, 41.877, 49.616 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.600 |
| R-factor | 0.24 |
| Rwork | 0.240 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bk2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 27.000 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.940 * | 2.780 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.041 | 0.083 |
| Total number of observations | 10871 * | |
| Number of reflections | 2232 * | |
| <I/σ(I)> | 11.7 | 26.3 |
| Completeness [%] | 94.5 * | 85.4 * |
| Redundancy | 4.5 | 4.1 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 * | pH 7.00 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 2.4 (M) | |
| 2 | 1 | reservoir | citric acid | 0.1 (M) | pH5.0 |
| 3 | 1 | drop | Tris-HCl | 10 (mM) | pH7.5 |
| 4 | 1 | drop | protein | 4 (mg/ml) |
