2P4H

Crystal Structure of Vestitone Reductase from Alfalfa (Medicago sativa L.)

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	93
Detector technology	CCD
Collection date	2006-07-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9789, 0.9791, 0.9641
Spacegroup name	P 21 21 2
Unit cell lengths	69.103, 91.850, 63.186
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.610 - 1.400
Rwork	0.188
R-free	0.20300
Structure solution method	MAD
RMSD bond length	0.004
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.600	1.450
High resolution limit [Å]	1.400	1.400
Number of reflections	77901
<I/σ(I)>	26.6	4.3
Completeness [%]	97.9	97.7
Redundancy	4.6	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	20% PEG 6000, 0.1M magnesium chloride, 0.1M Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K