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 |