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)