3Q30
Human Squalene synthase in complex with (2R,3R)-2-Carboxymethoxy-3-[5-(2-naphthalenyl)pentyl]aminocarbonyl-3-[5-(2-naphthalenyl)pentyloxy]propionic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-03-19 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.54178 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 85.973, 59.526, 84.139 |
| Unit cell angles | 90.00, 115.71, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.000 |
| R-factor | 0.20833 |
| Rwork | 0.207 |
| R-free | 0.23750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ezf |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.469 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.065 | 0.311 |
| Number of reflections | 25771 | |
| <I/σ(I)> | 10 | 3 |
| Completeness [%] | 99.0 | 99.8 |
| Redundancy | 2.59 | 2.53 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5 | 293 | seeding method, pH 5, VAPOR DIFFUSION, temperature 293K |
