4G0S

Crystal Structure of Epiphyas postvittana Takeout 1 expressed in Sf9 cells

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-19
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95468
Spacegroup name	P 1 21 1
Unit cell lengths	45.835, 55.184, 87.279
Unit cell angles	90.00, 90.22, 90.00

Refinement procedure

Resolution	45.800 - 2.191
R-factor	0.1975
Rwork	0.194
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e8t
RMSD bond length	0.014
RMSD bond angle	1.853
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.835	45.835	2.320
High resolution limit [Å]	2.191	6.960	2.191
Rmerge	0.130	0.089	0.349
Total number of observations		2623	11626
Number of reflections	22359
<I/σ(I)>	6	6.1	2
Completeness [%]	100.0	99.4	100
Redundancy	3.5	3.5	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	291	0.1M MES, 26-31% PEG 3000, pH 6.0, vapor diffusion, temperature 291K