1I69

CRYSTAL STRUCTURE OF THE REDUCED FORM OF OXYR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	298
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS II
Wavelength(s)	1.54
Spacegroup name	P 43 21 2
Unit cell lengths	79.490, 79.490, 210.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 - 2.700
R-factor	0.247 *
Rwork	0.247
R-free	0.27800
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	23.500 *
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	100.000
High resolution limit [Å]	2.700
Rmerge	0.078 *
Number of reflections	18097
Completeness [%]	93.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		25 *	VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	reservoir	PEG10000	8-12 (%)
3	1	reservoir	CAPS	0.2 (M)
4	1	reservoir	benzoic acid	0.1 (M)
5	1	reservoir	Tris	0.1 (M)