6SC5

dAb3/HOIP-RBR-Ligand2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9159
Spacegroup name	I 2 2 2
Unit cell lengths	65.578, 86.661, 240.223
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.260 - 2.100
R-factor	0.2207
Rwork	0.219
R-free	0.25180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	dAb3/HOIP-RBR apo structure
RMSD bond length	0.002
RMSD bond angle	0.459
Data reduction software	DIALS (1.15.2_3472)
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	REFMAC (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.260	2.175
High resolution limit [Å]	2.100	2.100
Rmerge	0.025	0.264
Rmeas	0.035	0.373
Number of reflections	40506	4001
<I/σ(I)>	13.75
Completeness [%]	99.9
Redundancy	2
CC(1/2)	0.999	0.859

Crystallization Conditions

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