7DF1

Crystal structure of human CD98 heavy chain extracellular domain in complex with S1-F4 scFv

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	93
Detector technology	PIXEL
Collection date	2018-04-16
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	125.802, 165.212, 176.191
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.044 - 2.806
R-factor	0.2177
Rwork	0.217
R-free	0.24860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dh2
RMSD bond length	0.002
RMSD bond angle	0.554
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.050	2.880
High resolution limit [Å]	2.806	2.810
Rmerge	0.118
Number of reflections	90217	6299
<I/σ(I)>	12.69
Completeness [%]	99.8
Redundancy	6.97
CC(1/2)	0.998	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M sodium citrate tribasic dihydrate pH 5.0, 9% PEG20000, 5% PEG400, 9% glycerol