1JDE
K22A mutant of pyruvate, phosphate dikinase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | AREA DETECTOR |
Collection date | 1996-08-05 |
Detector | SIEMENS |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 2 1 |
Unit cell lengths | 89.900, 58.600, 102.300 |
Unit cell angles | 90.00, 95.10, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.800 |
R-factor | 0.193 * |
Rwork | 0.193 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1DIK without solvent molecules and with K22 truncated to Gly |
RMSD bond length | 0.019 |
RMSD bond angle | 2.700 |
Data reduction software | X-GEN |
Data scaling software | X-GEN |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.070 | |
Number of reflections | 25068 | |
Completeness [%] | 98.0 | 53 |
Redundancy | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 * | 30 * | 50% saturated ammonium sulfate, 100mM Hepes buffer, 100mM KCL, 0.1mM EDTA, 1mM Mercaptoethanol, 20mM imidazole buffer pH 6.5, 10mg/ml protein, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 303K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | ammonium sulfate | 50-55 (%sat) | |
2 | 1 | reservoir | HEPES | 100 (mM) | pH7.0 |
3 | 1 | drop | protein | 10 (mg/ml) | |
4 | 1 | drop | imidazole | 20 (mM) | pH6.5 |
5 | 1 | drop | 100 (mM) | ||
6 | 1 | drop | EDTA | 0.1 (mM) | |
7 | 1 | drop | mercaptoethanol | 1 (mM) |