1QXR
Crystal structure of phosphoglucose isomerase from Pyrococcus furiosus in complex with 5-phosphoarabinonate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-07-04 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 36.000, 39.700, 74.700 |
| Unit cell angles | 73.70, 78.50, 72.60 |
Refinement procedure
| Resolution | 15.000 - 1.700 |
| R-factor | 0.223 |
| Rwork | 0.221 |
| R-free | 0.26400 |
| Structure solution method | REFINEMENT |
| Starting model (for MR) | 1qxj |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.540 |
| Data reduction software | CrystalClear ((MSC/RIGAKU)) |
| Data scaling software | CrystalClear ((MSC/RIGAKU)) |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.800 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.041 | 0.297 |
| Total number of observations | 103907 * | |
| Number of reflections | 38270 * | |
| <I/σ(I)> | 12.5 | 3.3 |
| Completeness [%] | 92.5 | 88.2 |
| Redundancy | 2.7 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 295 | 25% PEG 4000, 0.2M ammonium acetate, 0.1M sodium acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 25 (%(w/v)) | |
| 2 | 1 | reservoir | ammonium acetate | 0.2 (M) | |
| 3 | 1 | reservoir | sodium acetate | 0.1 (M) | pH5.6 |
