1DKQ
CRYSTAL STRUCTURE OF PHYTATE COMPLEX ESCHERICHIA COLI PHYTASE AT PH 5.0. PHYTATE IS BOUND WITH ITS 3-PHOSPHATE IN THE ACTIVE SITE. HG2+ CATION ACTS AS AN INTERMOLECULAR BRIDGE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-07-25 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.445, 75.141, 89.957 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.050 |
| R-factor | 0.217 |
| Rwork | 0.217 |
| R-free | 0.25700 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 22.900 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNS (0.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.062 | 0.264 |
| Number of reflections | 55402 | |
| <I/σ(I)> | 13.9 | |
| Completeness [%] | 96.1 | 91.5 |
| Redundancy | 3.3 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 6.6 | 298 | ETHYLENE GLYCOL, GLYCEROL, 2-MORPHOLINOPROPANESULFONIC ACID, MERCURIC CHLORIDE, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 72 (mg/ml) | |
| 2 | 1 | drop | 2.5 (mM) | ||
| 3 | 1 | drop | 1.5 (mM) | ||
| 4 | 1 | reservoir | ethylene glycol | 28 (%) | |
| 5 | 1 | reservoir | glycerol | 18 (%) | |
| 6 | 1 | reservoir | MOPS | 33 (mM) |
