3ASX
Human Squalene synthase in complex with 1-{4-[{4-chloro-2-[(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-02-23 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.54178 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 87.069, 59.837, 85.447 |
| Unit cell angles | 90.00, 116.66, 90.00 |
Refinement procedure
| Resolution | 76.700 - 2.000 |
| R-factor | 0.17699 |
| Rwork | 0.174 |
| R-free | 0.22839 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ezf |
| RMSD bond length | 0.025 |
| RMSD bond angle | 1.866 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.700 | 2.150 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.057 | 0.210 |
| Number of reflections | 26043 | |
| <I/σ(I)> | 9.4 | 3 |
| Completeness [%] | 99.4 | 99.4 |
| Redundancy | 2.9 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5 | 293 | seeding method, pH 5, VAPOR DIFFUSION, temperature 293K |
