5U8E

Crystal Structure of substrate-free arginine kinase from spider Polybetes pythagoricus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER IMUS MICROFOCUS
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-27
Detector	BRUKER PHOTON 100
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	48.131, 61.117, 60.991
Unit cell angles	90.00, 95.86, 90.00

Refinement procedure

Resolution	20.307 - 2.180
R-factor	0.1752
Rwork	0.172
R-free	0.22640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4am1
RMSD bond length	0.007
RMSD bond angle	0.852
Data reduction software	PROTEUM PLUS (v2)
Data scaling software	PROTEUM PLUS (V2)
Phasing software	PHASER (2.1.2)
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.300	2.250
High resolution limit [Å]	2.180	2.180
Rmerge	0.048	0.284
Number of reflections	18342
<I/σ(I)>	24.7	3.34
Completeness [%]	99.4	94.27
Redundancy	6.8	4.3
CC(1/2)	0.980	0.739

Crystallization Conditions

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