5YY2

Crystal structure of AsqI with Zn

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	2016-12-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	I 2 2 2
Unit cell lengths	84.582, 114.858, 157.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.800 - 2.910
R-factor	0.198
Rwork	0.197
R-free	0.21530
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.236
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.800	3.030
High resolution limit [Å]	2.910	2.910
Number of reflections	17162	2674
<I/σ(I)>	12.96
Completeness [%]	99.9
Redundancy	6.7
CC(1/2)	0.995	0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG400, PEG1500, HEPES pH7.5