5EVO

Structure of Dehydroascrobate Reductase from Pennisetum Americanum in complex with two non-native ligands, Acetate in the G-site and Glycerol in the H-site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-08-18
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 43 2 2
Unit cell lengths	69.494, 69.494, 111.557
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.140 - 2.510
R-factor	0.1981
Rwork	0.196
R-free	0.24080
RMSD bond length	0.009
RMSD bond angle	1.120
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.500
Number of reflections	9893
<I/σ(I)>	28.99
Completeness [%]	99.4
Redundancy	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	SODIUM ACETATE, AMMONIUM SULFATE