4BHL

Crystal structure of Litopenaeus vannamei arginine kinase in binary complex with arginine

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	2012-07-05
Detector	ADSC QUANTUM 270
Spacegroup name	P 21 21 21
Unit cell lengths	56.368, 70.338, 82.054
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.461 - 1.900
R-factor	0.1748
Rwork	0.172
R-free	0.22680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4am1
RMSD bond length	0.006
RMSD bond angle	1.043
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.100	2.010
High resolution limit [Å]	1.900	1.900
Rmerge	0.060	0.210
Number of reflections	26516
<I/σ(I)>	22.3	5.4
Completeness [%]	100.0	96.1
Redundancy	7.1	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5		PROTEIN WAS CRYSTALLIZED FROM 0.2 M SODIUM ACETATE, 0.1 M SODIUM CACODYLATE PH 6.5 AND 30 % (W/V) PEG 8000 USING THE MICROBATCH METHOD