1DY3
Ternary complex of 7,8-dihydro-6-hydroxymethylpterinpyrophosphokinase from Escherichia coli with ATP and a substrate analogue.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 290 |
| Detector technology | IMAGE PLATE |
| Detector | R-AXIS |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 40.960, 69.010, 115.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.000 |
| Rwork | 0.165 |
| Structure solution method | MIR |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.030 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.050 * | 0.102 * |
| Total number of observations | 47660 * | |
| Number of reflections | 10879 | |
| <I/σ(I)> | 20.5 | 10.6 |
| Completeness [%] | 94.4 | 92.2 * |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 5.6 | 4 * | pH 5.60 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | PPPK | 5 (mg/ml) | |
| 2 | 1 | drop | dithiothreitol | 2 (mM) | |
| 3 | 1 | drop | 6 (mM) | ||
| 4 | 1 | drop | ATP | 0.7 (mM) | |
| 5 | 1 | drop | pterin | 0.5 (mM) | |
| 6 | 1 | reservoir | sodium citrate | 0.1 (M) | |
| 7 | 1 | reservoir | ammonium acetate | 0.2 (M) | |
| 8 | 1 | reservoir | PEG3400 | 27-31 (%(w/v)) |
