9LKI

N-terminal domain (NTD) structure of aciniform spidroin 1(AcSp1) from Latrodectus hesperus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-01
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979183
Spacegroup name	P 1 21 1
Unit cell lengths	40.620, 82.340, 65.440
Unit cell angles	90.00, 94.16, 90.00

Refinement procedure

Resolution	40.510 - 2.980
R-factor	0.2912
Rwork	0.289
R-free	0.32200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.759
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.170	3.060
High resolution limit [Å]	2.980	2.980
Rmerge	0.376	2.175
Rmeas	0.413	2.351
Rpim	0.167	0.885
Number of reflections	8805	650
<I/σ(I)>	5.5	1.1
Completeness [%]	99.1
Redundancy	6.2
CC(1/2)	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	10% v/v 2-Propanol 0.1 M Sodium acetate trihydrate pH 4.0 22% w/v Polyethylene glycol 6,000