7BUZ

Crystal structure of Pennisetum glaucum monodehydroascorbate reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2019-01-11
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	80.572, 83.460, 132.872
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.670 - 2.288
R-factor	0.1898
Rwork	0.187
R-free	0.24760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jci
RMSD bond length	0.008
RMSD bond angle	0.990
Data reduction software	HKL-2000
Phasing software	BALBES (1.0.0)
Refinement software	BUSTER (2.10.3 (19-MAR-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.675	2.327
High resolution limit [Å]	2.288	2.288
Rpim		0.066
Number of reflections	41184	41184
<I/σ(I)>	2.18
Completeness [%]	100.0
Redundancy	15.7
CC(1/2)	0.996	0.996

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