6AU5

Structure of cetuximab with aminoheptanoic acid-linked n-butylarginine meditope variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-02-15
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	64.580, 83.060, 211.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.173 - 2.484
R-factor	0.1878
Rwork	0.186
R-free	0.22650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5id0
RMSD bond length	0.005
RMSD bond angle	1.023
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.173	2.550
High resolution limit [Å]	2.480	2.480
Rmerge	0.038	0.165
Number of reflections	40278	2533
<I/σ(I)>	34.8	9.2
Completeness [%]	98.0	85
Redundancy	5.5	4.3
CC(1/2)	0.999	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M sodium citrate, pH 4.0, 1.6 M ammonium sulfate