5U92

Crystal Structure of arginine kinase from the spider Polybetes pythagoricus in complex with arginine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-25
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.181
Spacegroup name	P 1 21 1
Unit cell lengths	48.090, 61.450, 60.600
Unit cell angles	90.00, 95.75, 90.00

Refinement procedure

Resolution	19.727 - 2.000
R-factor	0.1713
Rwork	0.168
R-free	0.23650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u8e
RMSD bond length	0.011
RMSD bond angle	1.047
Data reduction software	XDS (1.2016)
Data scaling software	XSCALE (1.2016)
Phasing software	PHASER (2.1)
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.730	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.070	0.328
Number of reflections	23798
<I/σ(I)>	17.5	5.64
Completeness [%]	99.8	98.8
Redundancy	5.5	5.4
CC(1/2)	0.990	0.970

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	289	0.2 M ammonium acetate, 0.1 M sodium citrate tribasic dihydrate pH 5.6 and 30% w/v polyethylene glycol 4000