4AM1

Crystal structure of the marine crustacean decapod shrimp (Litopenaeus vannamei) arginine kinase in the absence of substrate or ligands.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-12
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	56.720, 70.390, 81.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.095 - 1.250
R-factor	0.1607
Rwork	0.158
R-free	0.19680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	A THEORETICAL MOLECULAR MODEL OF THE SHRIMP AMINO ACID SEQUENCE GENBANK ABI98020.1 BUILT WITH MOE CHEMCOMP AS A STARTING MODEL
RMSD bond length	0.012
RMSD bond angle	1.339
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.280
High resolution limit [Å]	1.250	1.250
Rmerge	0.050	0.540
Number of reflections	91314
<I/σ(I)>	22.25	3.96
Completeness [%]	100.0	100
Redundancy	7.16	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.4		0.2 M SODIUM ACETATE, 0.1 M SODIUM CACODYLATE PH 6.5 AND 30% PEG 8000