2CDT
alpha-SPECTRIN SH3 DOMAIN A56S MUTANT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-11-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 33.628, 42.302, 49.952 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.920 - 2.540 |
| R-factor | 0.248 |
| Rwork | 0.246 |
| R-free | 0.28800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1H1G |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.339 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.600 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.060 | 0.140 |
| Number of reflections | 2316 | |
| <I/σ(I)> | 6.2 | 3.6 |
| Completeness [%] | 89.3 | 97.4 |
| Redundancy | 4.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 1.1M AMMONIUM SULPHATE, 90MM SODIUM CITRATE/CITRIC ACID, PH 6.0, 90 MM BIS-TRIS PROPANE, 0.9MM EDTA, 0.9MM DTT, 0.9MM SODIUM AZIDE |
