5JCK

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	2015-10-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97954
Spacegroup name	P 41 21 2
Unit cell lengths	81.473, 81.473, 121.357
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.000
R-factor	0.1474
Rwork	0.144
R-free	0.20870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4h4q
RMSD bond length	0.024
RMSD bond angle	2.225
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]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.145	0.089	0.355
Total number of observations	751594
Number of reflections	53422
<I/σ(I)>	5.7
Completeness [%]	99.7	95.7	100
Redundancy	14.1	12.3	14.4

Crystallization Conditions

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