1SOM
TORPEDO CALIFORNICA ACETYLCHOLINESTERASE INHIBITED BY NERVE AGENT GD (SOMAN).
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-12 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 111.560, 111.560, 137.002 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.500 - 2.200 |
| R-factor | 0.21 * |
| Rwork | 0.210 |
| R-free | 0.25100 |
| Structure solution method | OTHER |
| Starting model (for MR) | 2ace |
| RMSD bond length | 0.020 * |
| RMSD bond angle | 23.900 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.050 * | 0.300 * |
| Total number of observations | 286328 * | |
| Number of reflections | 49048 | |
| <I/σ(I)> | 15.6 | 2.6 |
| Completeness [%] | 96.7 | 94.1 |
| Redundancy | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6 | 4 * | PROTEIN WAS CRYSTALLIZED FROM 35-40% W/V PEG 200 0.15M MES PH 6.0 0.05M NACL 4 DEG. CELSIUS , temperature 277.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | PEG200 | 35-40 (%(w/v)) | |
| 3 | 1 | reservoir | MES | 0.15 (M) | |
| 4 | 1 | reservoir | 0.05 (M) |
