6SC8

dAb3/HOIP-RBR-Ligand4

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	2019-05-06
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	I 2 2 2
Unit cell lengths	65.919, 87.770, 241.831
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.029 - 2.106
R-factor	0.2209
Rwork	0.219
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	dAb3/HOIP-RBR apo structure
Data reduction software	xia2
Data scaling software	autoPROC
Phasing software	PHENIX
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.030	2.182
High resolution limit [Å]	2.100	2.106
Rmerge	0.029	0.777
Rmeas	0.042	1.099
Number of reflections	40852	3848
<I/σ(I)>	13.86
Completeness [%]	99.3
Redundancy	2
CC(1/2)	0.999	0.479

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Ammonium sulfate, sodium chloride, HEPES