6R9D

Crystal structure of an asymmetric dimer of the N-terminal domain of Euprosthenops australis Major Ampullate Spidroin 1 (dragline silk)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-09-11
Detector	ADSC QUANTUM 210
Wavelength(s)	0.93340
Spacegroup name	C 1 2 1
Unit cell lengths	126.631, 65.114, 95.968
Unit cell angles	90.00, 91.85, 90.00

Refinement procedure

Resolution	57.900 - 2.100
R-factor	0.2093
Rwork	0.208
R-free	0.23690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lr2
RMSD bond length	0.003
RMSD bond angle	0.453
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.900	2.175
High resolution limit [Å]	2.100	2.100
Rmerge	0.195	0.422
Rmeas	0.213	0.559
Rpim	0.085	0.364
Number of reflections	45467	4464
<I/σ(I)>	10.16	2.39
Completeness [%]	99.3	98.13
Redundancy	4.8	2.2
CC(1/2)	0.993	0.795

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	15% PEG 3350 1 M Ammonium sulphate 0.1 M Tris-HCl buffer pH 8.5 15% PEG 400