1P50

Transition state structure of an Arginine Kinase mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-03-10
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	65.454, 71.246, 80.116
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.800
Rwork	0.172
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bg0
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.128
Number of reflections	8914
Completeness [%]	97.4 *	92
Redundancy	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5	4 *	PEG 6000, Hepes, magnesium chloride, ADP, nitrate, arginine, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	Vapor diffusion *	7.5	4 *	PEG 6000, Hepes, magnesium chloride, ADP, nitrate, arginine, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	Vapor diffusion *	7.5	4 *	PEG 6000, Hepes, magnesium chloride, ADP, nitrate, arginine, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	Vapor diffusion *	7.5	4 *	PEG 6000, Hepes, magnesium chloride, ADP, nitrate, arginine, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	24 (mg/ml)
2	1	drop	PEG6000	32 (%)
3	1	drop	HEPES	0.025 (M)	pH7.5
4	1	drop		0.05 (M)
5	1	drop	PEG6000	16 (%)
6	1	reservoir	PEG6000	26 (%)