7OOM

N-terminal domain of FlSp spidroin from Nephila clavipes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9788
Spacegroup name	P 1 21 1
Unit cell lengths	41.878, 58.890, 46.330
Unit cell angles	90.00, 106.65, 90.00

Refinement procedure

Resolution	44.390 - 1.800
R-factor	0.1876
Rwork	0.186
R-free	0.21730
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.638
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	SHELXCD
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.390	58.890	1.900
High resolution limit [Å]	1.800	5.690	1.800
Rmerge		0.083	0.324
Rmeas	0.103	0.091	0.381
Rpim	0.042	0.037	0.196
Total number of observations		4000	6887
Number of reflections	18569	666	1906
<I/σ(I)>	10.7	16.4	3.3
Completeness [%]	92.6	99.1	66
Redundancy	5.4	6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	The crystals were obtained by siting drop vapor technique by mixing 1 ul of protein (10 mg/ml in 20 mM Na acetate, 10 mM NaCl, pH 5.5) with 1ul of 0.2M MgCl2, 0.1M bis-tris pH 5.5, 25% PEG 3350