2I6K
Crystal structure of human type I IPP isomerase complexed with a substrate analog
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-11-04 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 |
Unit cell lengths | 41.363, 43.074, 70.466 |
Unit cell angles | 80.26, 89.98, 67.95 |
Refinement procedure
Resolution | 20.400 - 2.000 |
R-factor | 0.22238 |
Rwork | 0.220 |
R-free | 0.26182 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dho |
RMSD bond length | 0.013 |
RMSD bond angle | 1.293 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.098 | 0.464 |
Number of reflections | 28398 | |
<I/σ(I)> | 9.5 | |
Completeness [%] | 94.1 | 87 |
Redundancy | 5.5 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.2M Magnesium Acetate, 0.1M Sodium Cacodylate, 20% PEG 8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |