4RF6

Crystal structure of double-domain arginine kinase from Anthopleura japonicas

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-09-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03317
Spacegroup name	P 1 21 1
Unit cell lengths	77.439, 58.913, 162.129
Unit cell angles	90.00, 90.96, 90.00

Refinement procedure

Resolution	47.655 - 1.950
R-factor	0.1745
Rwork	0.172
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ju5
RMSD bond length	0.005
RMSD bond angle	0.936
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.700	1.990
High resolution limit [Å]	1.950	1.950
Number of reflections	102413
Completeness [%]	95.7	65.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	0.02M Tris, 0.05 NaCl, 0.005M MgCl2, 0.005M ADP, 0.1M Bis-Tris, 20% PEG5000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K