3E8W

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	2007-08-30
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	45.043, 54.051, 83.577
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.060 - 2.500
R-factor	0.187
Rwork	0.183
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e8t
RMSD bond length	0.013
RMSD bond angle	1.408
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.33)
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.600	34.610	2.640
High resolution limit [Å]	2.500	7.910	2.500
Rmerge	0.110	0.050	0.389
Total number of observations		2671	12019
Number of reflections	7491
<I/σ(I)>		9.6	2
Completeness [%]	99.9	99	99.8
Redundancy	11.3	9.5	11.4

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