3E8T

Crystal Structure of Epiphyas postvittana Takeout 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-08-07
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	45.454, 45.178, 53.778
Unit cell angles	90.00, 108.84, 90.00

Refinement procedure

Resolution	31.160 - 1.300
R-factor	0.144
Rwork	0.142
R-free	0.18200
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.665
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.33)
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.787	1.370
High resolution limit [Å]	1.300	1.300
Rmerge	0.041	0.407
Total number of observations		26815
Number of reflections	48865
<I/σ(I)>		1.9
Completeness [%]	96.1	78.3
Redundancy	6.9	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	291	50mM MES pH 6.2-6.7, 20-25% PEG 3000, pH 6.5, VAPOR DIFFUSION, temperature 291K
1	VAPOR DIFFUSION	6.5	291	50mM MES pH 6.2-6.7, 20-25% PEG 3000, pH 6.5, VAPOR DIFFUSION, temperature 291K