1CF8
Convergence of catalytic antibody and terpene cyclase mechanisms: polyene cyclization directed by carbocation-pi interactions
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 300 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-05-17 |
| Detector | RIGAKU |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.300, 70.300, 69.600 |
| Unit cell angles | 90.00, 114.20, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.700 |
| R-factor | 0.165 * |
| Rwork | 0.165 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yef |
| RMSD bond length | 0.011 |
| RMSD bond angle | 27.500 * |
| 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] | 20.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.088 | 0.173 |
| Number of reflections | 11531 | |
| <I/σ(I)> | 19.31 | 6.7 |
| Completeness [%] | 93.5 | 80.2 |
| Redundancy | 3.24 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 | DROP: 11.4 MG/ML FAB, 10MM CDCL2, 50 MM TRIS, PH 7.0, RESERVOIR: 30% PEG 6000, 100 MM HEPES PH 7.9, pH 7.00 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Fab | 11.4 (mg/ml) | |
| 2 | 1 | drop | 10 (mM) | ||
| 3 | 1 | drop | complex | 10 (mM) | |
| 4 | 1 | drop | Tris | 50 (mM) | |
| 5 | 1 | reservoir | PEG6000 | 30 (%) | |
| 6 | 1 | reservoir | HEPES | 100 (mM) |
