3QVT
L-myo-inositol 1-phosphate synthase from Archaeoglobus fulgidus wild-type with the intermediate 5-keto 1-phospho glucose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 82.780, 89.590, 105.020 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.200 - 2.000 |
| R-factor | 0.19971 |
| Rwork | 0.197 |
| R-free | 0.24839 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1u1i |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.796 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.200 | 2.060 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.106 | 0.345 |
| Number of reflections | 26699 | |
| <I/σ(I)> | 11.2 | 2 |
| Completeness [%] | 98.6 | 98.9 |
| Redundancy | 3.1 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2 M calcium chloride, 14% PEG400, 15% PEG1500, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
