1P52

Structure of Arginine kinase E314D mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS II
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	65.393, 70.312, 80.139
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.900
R-factor	0.18
Rwork	0.178
R-free	0.23520
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	2.020
High resolution limit [Å]	1.900	1.900
Rmerge	0.066 *
Number of reflections	27680
Completeness [%]	98.0 *	91.6
Redundancy	7.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5	4 *	peg 6000, hEPES, MgCl2, ADP, NO3, 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	20 (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	28 (%)