4EVI

Crystal Structure Analysis of Coniferyl Alcohol 9-O-Methyltransferase from Linum Nodiflorum in Complex with Coniferyl Alcohol 9-Methyl Ether and S -Adenosyl-L-Homocysteine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OTHER
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-08-08
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	75.842, 105.042, 108.983
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	9.340 - 2.015
R-factor	0.1773
Rwork	0.176
R-free	0.20310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ems
RMSD bond length	0.007
RMSD bond angle	1.010
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	10.000	10.000	2.050
High resolution limit [Å]	2.015	5.220	2.015
Rmerge		0.044	0.502
Number of reflections	57450
<I/σ(I)>	9.7
Completeness [%]	99.8	97.6	99.9
Redundancy	5.2	4.6	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	1 M Na/K phosphate, 0,7M ammonium sulfate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K