1GIS
A TRICHOSANTHIN(TCS) MUTANT(E85Q) COMPLEX STRUCTURE WITH 2'-DEOXY-ADENOSIN-5'-MONOPHOSPHATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-12-28 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.000, 75.900, 78.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 1.700 |
| R-factor | 0.193 |
| Rwork | 0.193 |
| R-free | 0.23400 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.580 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.061 | 0.236 |
| Number of reflections | 24510 | |
| <I/σ(I)> | 9.2 | |
| Completeness [%] | 95.5 | 95.6 |
| Redundancy | 3.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.7 | 291 | CaCl2, KCl, NaAC-HAC, pH 5.7, EVAPORATION, temperature 291.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 40 (mg/ml) | |
| 2 | 1 | reservoir | 100 (mM) | pH5.7 | |
| 3 | 1 | reservoir | 20 (%) | ||
| 4 | 1 | reservoir | 100 (mM) |
