9FSA

Cell wall anchoring domain of the surface layer protein of Methanococcus voltae (aa 24-75; 484-576)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	Excillum MetalJet D2+ 70 kV
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-12
Detector	Bruker PHOTON III
Wavelength(s)	1.3414
Spacegroup name	P 2 21 21
Unit cell lengths	46.340, 53.268, 55.627
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.340 - 2.050
Rwork	0.265
R-free	0.28250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.075
Data reduction software	DIALS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.340	2.240
High resolution limit [Å]	2.050	2.050
Rmerge	0.332	1.800
Number of reflections	4977	291
<I/σ(I)>	8.2	1.6
Completeness [%]	90.7	70.1
Redundancy	23.5	15.8
CC(1/2)	0.996	0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	JCSG+ eco condition C2 1.0 M LiCl, 0.1 M citrate pH 4.0, 20 % PEG 6000 0.3 ul condition + 0.3 ul protein solution