4GW5

cQYN meditope - Cetuximab Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-02-20
Detector	MAR scanner 345 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	64.160, 82.520, 211.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.607 - 2.200
R-factor	0.1754
Rwork	0.174
R-free	0.22160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yy9
RMSD bond length	0.007
RMSD bond angle	1.102
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall
Low resolution limit [Å]	29.610
High resolution limit [Å]	2.000
Number of reflections	76935
<I/σ(I)>	19.57
Completeness [%]	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	298	Cetuximab Fab (5 mg/mL) was mixed with individual meditopes at a 1:10 molar ratio. Co-crystals that diffracted beyond 2.2 A were grown in 100 mM sodium phosphate/citrate, 2.5 M sodium/potassium phosphate, 1.6 % w/v meso-erythritol, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K