2I2W
Crystal Structure of Escherichia Coli Phosphoheptose Isomerase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-02-22 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.930, 89.610, 106.910 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.900 - 1.950 |
| R-factor | 0.1723 |
| Rwork | 0.170 |
| R-free | 0.21921 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.039 |
| RMSD bond angle | 2.773 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.900 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.075 | 0.398 |
| Number of reflections | 59294 | |
| <I/σ(I)> | 3.4 | |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 4.27 | 4.18 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 298 | 3% PEG 8000, 0.002M DTT, 3% 1,6-hexanediol, 0.01M Hepes, 0.1M imidazole, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
