9SYA

Crystal structure of HERV-K envelope glycoprotein surface subunit with cholates and sulfates bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-07-03
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9537
Spacegroup name	P 1
Unit cell lengths	60.040, 63.520, 70.681
Unit cell angles	101.94, 101.83, 104.06

Refinement procedure

Resolution	59.320 - 2.250
R-factor	0.2153
Rwork	0.213
R-free	0.26720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.261
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (2.0_5936)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.320	2.310
High resolution limit [Å]	2.250	2.250
Rmerge	0.114	1.500
Rpim	0.070	0.931
Number of reflections	44339	3144
<I/σ(I)>	11.41	0.7
Completeness [%]	98.5	96.6
Redundancy	3.7	3.5
CC(1/2)	0.979	0.317

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298.15	32.7% PEG 8K/ethylene glycol (1:2), 0.1 M MES/imidazole pH 6.5, 90 mM Morpheus NPS, and 1.572% (w/v) Morpheus III cholic acids