2I22
Crystal structure of Escherichia coli phosphoheptose isomerase in complex with reaction substrate sedoheptulose 7-phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-05-16 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.045, 76.540, 78.316 |
| Unit cell angles | 90.00, 106.13, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.800 |
| R-factor | 0.20694 |
| Rwork | 0.203 |
| R-free | 0.25699 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tk9 |
| RMSD bond length | 0.038 |
| RMSD bond angle | 2.845 |
| 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] | 47.390 | 2.890 |
| High resolution limit [Å] | 2.790 | 2.790 |
| Number of reflections | 20533 | |
| Completeness [%] | 98.6 | 99.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 298 | 3% PEG 8000, 0.002 M DTT, 3% 1,6-hexanediol, 0.01 M Hepes, 0.1 M imidazole, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
