7VNX

Crystal structure of TkArkI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 61
Unit cell lengths	66.850, 66.850, 98.280
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.464 - 1.801
R-factor	0.1727
Rwork	0.171
R-free	0.20500
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.123
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.12-2829_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.464	37.464	1.850
High resolution limit [Å]	1.800	8.060	1.800
Rmerge	0.069	0.029	1.935
Rmeas	0.070	0.029	1.959
Total number of observations	911513
Number of reflections	23021	267	1683
<I/σ(I)>	35.18	112.59	2.55
Completeness [%]	100.0	99.3	99.8
Redundancy	39.595	35.03	40.179
CC(1/2)	1.000	1.000	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	25% ethylene glycol