7BTJ

Crystal structure of Pennisetum glaucum monodehydroascorbate reductase in complex with FADH2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2019-01-18
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	65.730, 79.118, 90.687
Unit cell angles	96.39, 97.27, 111.92

Refinement procedure

Resolution	61.450 - 2.373
R-factor	0.1886
Rwork	0.186
R-free	0.24320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jci
RMSD bond length	0.008
RMSD bond angle	0.980
Data reduction software	autoPROC (1.0.5)
Data scaling software	autoPROC (1.0.5)
Phasing software	BALBES (1.0.0)
Refinement software	BUSTER (2.10.4 (11-DEC-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.450	2.413
High resolution limit [Å]	2.370	2.373
Number of reflections	64802	15670
<I/σ(I)>	2.21
Completeness [%]	96.6
Redundancy	4.9
CC(1/2)	0.997	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	0.2 M Sodium acetate trihydrate 0.1 M Sodium cacodylate trihydrate pH 6.5 30% w/v Polyethylene glycol 8,000