5IQY

Structure of apo-Dehydroascorbate Reductase from Pennisetum Glaucum phased by Iodide-SAD method

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-05-01
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	40.890, 132.080, 97.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.780 - 2.400
R-factor	0.188
Rwork	0.184
R-free	0.23400
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.060
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	SHELXCD
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.050	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.106	0.450
Number of reflections	10732
<I/σ(I)>	32
Completeness [%]	99.9
Redundancy	27.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.6	293	Tris, Lithium Sulfate, Ammonium Sulfate