1LO0
Catalytic Retro-Diels-Alderase Transition State Analogue Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-01-01 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.528, 140.095, 85.476 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.300 - 2.000 |
| R-factor | 0.206 |
| Rwork | 0.206 |
| R-free | 0.25600 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 28B4 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 27.150 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.300 | 1.850 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.051 | 0.136 |
| Total number of observations | 1025225 * | |
| Number of reflections | 74192 * | |
| <I/σ(I)> | 24.4 | 9.9 |
| Completeness [%] | 81.7 * | 95.9 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.8 * | 20 * | PEG, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 16-20 (mg/ml) | |
| 2 | 1 | drop | hapten | 0.6 (mM) | |
| 3 | 1 | drop | Tris-HCl | 10 (mM) | pH7.8 |
| 4 | 1 | reservoir | imidazole | 0.05 (M) | pH7.0 |
| 5 | 1 | reservoir | PEG3550 | 12-18 (%(w/v)) |
