6ZSZ

Crystal structure of the Grindelwald extracellular domain complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-18
Detector	DECTRIS PILATUS 2M
Wavelength(s)	2.0751
Spacegroup name	P 41 21 2
Unit cell lengths	31.450, 31.450, 97.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.940 - 1.920
R-factor	0.1696
Rwork	0.166
R-free	0.20560
Structure solution method	SAD
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.880	5.210
High resolution limit [Å]	1.920	1.920
Rmerge	0.073	0.040
Number of reflections	4051	89
<I/σ(I)>	163.4	11.8
Completeness [%]	96.4
Redundancy	221.8
CC(1/2)	1.000	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M Hepes pH 7.5, 45 % MPD, 0.2 M ammonium acetate concentration 82 mg/ml