1GCP
CRYSTAL STRUCTURE OF VAV SH3 DOMAIN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU ULTRAX 18 |
| Temperature [K] | 90 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-05-01 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.205, 101.115, 39.707 |
| Unit cell angles | 90.00, 91.34, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.100 |
| R-factor | 0.196 |
| Rwork | 0.193 |
| R-free | 0.25300 |
| Structure solution method | MR |
| Starting model (for MR) | Vav SH3 domain in 1GCQ |
| RMSD bond length | 0.011 |
| RMSD bond angle | 28.260 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 * | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.035 | 0.078 |
| Total number of observations | 84381 * | |
| Number of reflections | 14004 | |
| <I/σ(I)> | 34.9 | |
| Completeness [%] | 94.2 | 70.7 |
| Redundancy | 6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8.5 | 4 * | PEG4000, tris(hydroxymethyl)aminomethane, isopropanol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.2K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5.0 (mM) | |
| 2 | 1 | reservoir | Tris-HCl | 100 (mM) | |
| 3 | 1 | reservoir | PEG4000 | 30 (%(w/v)) | |
| 4 | 1 | reservoir | isopropanol | 9 (%(v/v)) |
