3QVW
L-myo-inositol 1-phosphate synthase from Archaeoglobus fulgidus mutant K278A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-02-15 |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 82.260, 89.940, 104.865 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.200 - 2.000 |
| R-factor | 0.21836 |
| Rwork | 0.215 |
| R-free | 0.28198 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1u1i |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.927 |
| 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 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.088 | 0.384 |
| Number of reflections | 26097 | |
| <I/σ(I)> | 7.7 | 2.1 |
| Completeness [%] | 97.9 | 96.8 |
| Redundancy | 2.6 | 1.8 |
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 |
