7BVI

Crystal structure of Pennisetum glaucum monodehydroascorbate reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-27
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.967700
Spacegroup name	P 1
Unit cell lengths	65.959, 79.357, 91.769
Unit cell angles	96.00, 97.29, 112.41

Refinement procedure

Resolution	72.340 - 2.391
R-factor	0.1715
Rwork	0.169
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jci
RMSD bond length	0.008
RMSD bond angle	0.970
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]	72.340	2.432
High resolution limit [Å]	2.391	2.391
Rmeas		0.120
Number of reflections	61346	237394
<I/σ(I)>	2.17
Completeness [%]	92.2
Redundancy	3.9
CC(1/2)	0.993	0.993

Crystallization Conditions

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