4FBS

Structure of monomeric NT from Euprosthenops australis Major Ampullate Spidroin 1 (MaSp1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-16
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0718
Spacegroup name	P 1 21 1
Unit cell lengths	42.650, 33.244, 44.752
Unit cell angles	90.00, 115.37, 90.00

Refinement procedure

Resolution	40.435 - 1.700
R-factor	0.1448
Rwork	0.142
R-free	0.19570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Initial NMR model of NT A72R
RMSD bond length	0.010
RMSD bond angle	1.228
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	PHENIX ((phenix.refine: dev_1041))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.440	1.761
High resolution limit [Å]	1.700	1.700
Number of reflections	12385
<I/σ(I)>		5.2
Completeness [%]	97.6	80.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M Bis Tris propane pH 6.5, 0.25M NaBr, 20% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K