1LO4
Retro-Diels-Alderase Catalytic antibody 9D9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-10-10 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.703, 80.355, 125.103 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 * - 2.400 |
| R-factor | 0.23917 |
| Rwork | 0.235 |
| R-free | 0.31500 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.906 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.027 | 0.116 |
| Total number of observations | 182312 * | |
| Number of reflections | 19718 | |
| <I/σ(I)> | 30.2 | 10.6 |
| Completeness [%] | 99.0 | 98.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.8 | 20 * | PEG4000, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Fab | 15 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 10 (mM) | pH7.8 |
| 3 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
| 4 | 1 | reservoir | sodium acetate | 0.1 (M) | pH4.6 |
| 5 | 1 | reservoir | PEG4000 | 30 (%(w/v)) |
