4QTZ

Crystal Structure of Cinnamyl-Alcohol Dehydrogenase 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2012-01-01
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	37.661, 76.131, 105.717
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.950 - 2.000
R-factor	0.19
Rwork	0.190
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c29
RMSD bond length	0.008
RMSD bond angle	1.600
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.960	2.130
High resolution limit [Å]	2.000	2.000
Rmerge	0.096	0.470
Number of reflections	20860
<I/σ(I)>	16.3	2.7
Completeness [%]	97.0	92.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	277	25% PEG3350, 0.1 M Bis-Tris, pH 6.5, VAPOR DIFFUSION, temperature 277K