6U9S

Crystal structure of human CD81 large extracellular loop in complex with 5A6 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-05
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	40.003, 96.858, 297.091
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.520 - 2.400
R-factor	0.2172
Rwork	0.214
R-free	0.28080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4s1d 5tcx
RMSD bond length	0.003
RMSD bond angle	0.537
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.520	2.540
High resolution limit [Å]	2.400	2.400
Number of reflections	46501	7210
<I/σ(I)>	7.94
Completeness [%]	99.1
Redundancy	6.3
CC(1/2)	0.995	0.166

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	295	0.2 Magnesium formate dihydrate, 0.1 M sodium acetate trihydrate pH 4.0, 18% w/v PEG MME 5000