5JCM

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	2015-11-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97954
Spacegroup name	P 21 21 21
Unit cell lengths	78.391, 85.137, 131.806
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.900
R-factor	0.1768
Rwork	0.174
R-free	0.22390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4h4q
RMSD bond length	0.021
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]	71.520	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.103	0.068
Rmeas	0.107	0.071
Rpim	0.030	0.021	0.269
Total number of observations	982181
Number of reflections	69512
<I/σ(I)>	10.8
Completeness [%]	99.3	98.2	98.8
Redundancy	14.1	11.3	14.9
CC(1/2)		0.996	0.825

Crystallization Conditions

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