5YY3

Crystal structure of AsqI

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	2017-04-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	I 2 2 2
Unit cell lengths	85.082, 117.435, 159.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.912 - 2.305
R-factor	0.1941
Rwork	0.193
R-free	0.21990
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.145
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]	19.912	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	35085	5482
<I/σ(I)>	15.22
Completeness [%]	98.9
Redundancy	6.7
CC(1/2)	0.998	0.815

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 8000, Amino acids, Tris/Bichine pH 8.5