3V66
HUMAN SQUALENE SYNTHASE IN COMPLEX WITH 2-(1-{2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}-4-piperidinyl)acetic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-04-01 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.54178 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 87.438, 60.144, 85.797 |
| Unit cell angles | 90.00, 117.14, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.800 |
| R-factor | 0.19872 |
| Rwork | 0.197 |
| R-free | 0.22383 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3q30 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.345 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.074 | 0.170 |
| Number of reflections | 35196 | |
| <I/σ(I)> | 7.7 | 3 |
| Completeness [%] | 95.4 | 91.1 |
| Redundancy | 2.42 | 2.32 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5 | 293 | CO-CRYSTALLIZED USING SEEDING METHOD., pH 5, VAPOR DIFFUSION, temperature 293K |
