5TH2

Cetuximab Fab in complex with L5Q meditope variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-02-05
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	64.190, 83.120, 212.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.770 - 1.840
R-factor	0.1624
Rwork	0.161
R-free	0.18440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gw1
RMSD bond length	0.006
RMSD bond angle	0.873
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.770	1.890
High resolution limit [Å]	1.840	1.840
Rmerge	0.060	0.787
Number of reflections	91890
<I/σ(I)>	15
Completeness [%]	92.3	94.6
Redundancy	3.5	3.3
CC(1/2)	0.999	0.677

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M citric acid, 0.1 M Na2HPO4, 0.4 M K2HPO4, 1.6 M NaH2PO4