6JJ8

Crystal structure of OsHXK6-ATP-Mg2+ complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	95
Detector technology	CCD
Collection date	2018-10-04
Detector	ADSC QUANTUM 315
Wavelength(s)	0.987
Spacegroup name	P 32 2 1
Unit cell lengths	131.989, 131.989, 185.012
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.620 - 2.800
R-factor	0.2087
Rwork	0.207
R-free	0.24660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jj7
RMSD bond length	0.007
RMSD bond angle	0.994
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.620	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.022	0.099
Number of reflections	46450	4559
<I/σ(I)>	21.16	6.6
Completeness [%]	100.0
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	3 mM magnesium chloride, 2 mM ATP (Biosharp) , 0.1 M sodium cacodylate 6.5, 0.2 M magnesium chloride hexahydrate, 50% v/v PEG 200,