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 |
