5JCI

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97954
Spacegroup name	P 41 21 2
Unit cell lengths	81.270, 81.270, 120.665
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.700
R-factor	0.145
Rwork	0.143
R-free	0.17980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.030
RMSD bond angle	2.657
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]	67.500	50.000	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.063	0.047	0.295
Total number of observations	410067
Number of reflections	85440
<I/σ(I)>	17.3
Completeness [%]	99.2	89.1	100
Redundancy	4.8	4.1	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	Tris, lithium sulfate, PEG 5000 MME