3Q2Z
Human Squalene synthase in complex with N-[(3R,5S)-7-Chloro-5-(2,3-dimethoxyphenyl)-1-neopentyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetyl]-L-aspartic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-01-25 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.54178 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 88.604, 60.571, 87.028 |
| Unit cell angles | 90.00, 117.59, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.000 |
| R-factor | 0.19166 |
| Rwork | 0.190 |
| R-free | 0.23090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ezf |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.717 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.290 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.047 | 0.337 |
| Number of reflections | 27002 | |
| <I/σ(I)> | 12.2 | 2.5 |
| Completeness [%] | 97.3 | 91.1 |
| Redundancy | 2.13 | 1.84 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5 | 293 | seeding method, pH 5, VAPOR DIFFUSION, temperature 293K |
