6ANI

Coltuximab Fab in complex with anti-Kappa VHH domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-28
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	C 1 2 1
Unit cell lengths	182.390, 48.301, 128.547
Unit cell angles	90.00, 104.07, 90.00

Refinement procedure

Resolution	46.600 - 2.400
R-factor	0.247
Rwork	0.245
R-free	0.28600
RMSD bond length	0.003
RMSD bond angle	0.618
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.596	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.142	0.683
Rpim	0.074	0.372
Number of reflections	43226
<I/σ(I)>	9.18
Completeness [%]	99.4
Redundancy	4.33
CC(1/2)	0.993	0.583

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M magnesium chloride, 0.1 M HEPES, pH 7.0 and 14 % polyethyleneglycol (PEG) 3350 (w/v)