6SC7

dAb3/HOIP-RBR-Ligand3

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	2018-07-15
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	I 2 2 2
Unit cell lengths	65.712, 86.701, 240.551
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.390 - 2.560
R-factor	0.2261
Rwork	0.224
R-free	0.26740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	dAb3/HOIP-RBR apo structure
RMSD bond length	0.002
RMSD bond angle	0.473
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	REFMAC (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.390	2.650
High resolution limit [Å]	2.560	2.560
Rmerge	0.037	0.505
Rmeas	0.052	0.714
Number of reflections	22664	2222
<I/σ(I)>	9.93
Completeness [%]	99.9
Redundancy	2
CC(1/2)	0.999	0.617

Crystallization Conditions

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