7P4L

Crystal structure of the trimeric ectodomain of archaeal Fusexin1 (Fsx1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00523
Spacegroup name	C 1 2 1
Unit cell lengths	262.510, 111.330, 68.510
Unit cell angles	90.00, 100.71, 90.00

Refinement procedure

Resolution	67.320 - 2.300
R-factor	0.2003
Rwork	0.199
R-free	0.24340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ALPHAFOLD2 MODEL FRAGMENTS
RMSD bond length	0.004
RMSD bond angle	0.583
Data reduction software	XDS (Jan 31, 2020 BUILT=20200417)
Data scaling software	XSCALE (Feb 5, 2021 BUILT=20210322)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (dev_4282)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.320	2.382
High resolution limit [Å]	2.300	2.300
Rmerge	0.100
Rmeas	0.115
Rpim	0.055
Number of reflections	85618	8536
<I/σ(I)>	11.35	1.43
Completeness [%]	99.5	99.86
Redundancy	4.2	4.4
CC(1/2)	0.998	0.580

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	23% (w/v) PEG 4000, 0.1 M Tris-HCl pH 8.5, 0.02 M Na-HEPES pH 7.8, 2.5 M NaCl, 0.2 M CaCl2