7KEO

Crystal structure of K29-linked di-ubiquitin in complex with synthetic antigen binding fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03321
Spacegroup name	C 1 2 1
Unit cell lengths	186.620, 43.740, 174.750
Unit cell angles	90.00, 107.81, 90.00

Refinement procedure

Resolution	19.701 - 2.900
R-factor	0.2386
Rwork	0.236
R-free	0.28180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	stripped Fab model
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.14)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.701	19.701	2.980
High resolution limit [Å]	2.900	12.970	2.900
Rmerge	0.162	0.046	0.977
Rmeas	0.189	0.054	1.141
Total number of observations	111228
Number of reflections	30022	276	2155
<I/σ(I)>	6.72	14.91	1.46
Completeness [%]	98.1	68.5	98.2
Redundancy	3.705	3.228	3.714
CC(1/2)	0.991	0.997	0.570

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	290	0.1 M phosphate-citriate, 40% v/v Polyethylene glycol 300