5JCN

Structure and catalytic mechanism of monodehydroascorbate reductase, MDHAR, from Oryza sativa L. japonica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-18
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9000
Spacegroup name	P 21 21 21
Unit cell lengths	79.635, 85.112, 133.443
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.290
R-factor	0.2082
Rwork	0.205
R-free	0.26360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4h4q
RMSD bond length	0.015
RMSD bond angle	2.038
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	71.760	50.000	2.340
High resolution limit [Å]	2.290	6.240	2.300
Rmerge	0.087	0.061
Rmeas	0.089	0.064
Rpim	0.029	0.020	0.502
Total number of observations	571023
Number of reflections	41172
<I/σ(I)>	13
Completeness [%]	99.5	92.2	100
Redundancy	13.9	9.9	14.9
CC(1/2)		0.997	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	Tris, ammonium acetate, PEG 3350