4RF8

Crystal structure of double-domain arginine kinase from Anthopleura japonicas in complex with ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 1 21 1
Unit cell lengths	79.481, 59.274, 163.706
Unit cell angles	90.00, 90.75, 90.00

Refinement procedure

Resolution	47.514 - 2.170
R-factor	0.1948
Rwork	0.192
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rf6
RMSD bond length	0.003
RMSD bond angle	0.833
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.514	2.190
High resolution limit [Å]	2.170	2.170
Number of reflections	79696
Completeness [%]	99.8	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	289	20mM HEPES, 50mM NaCl, 10mM L-arginine, 10mM Sodium Nitrate, 10mM ADP, 0.2M Potassium Acetate, 20% PEG3350, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 289K