6AYN

Structure of cetuximab with aminoheptanoic acid-linked N-(3-aminopropyl)-L-arginine 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	2012-05-01
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	64.480, 82.900, 212.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.121 - 2.480
R-factor	0.174
Rwork	0.172
R-free	0.22170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gw1
RMSD bond length	0.007
RMSD bond angle	0.896
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.121	2.540
High resolution limit [Å]	2.480	2.480
Rmerge	0.066	0.296
Number of reflections	40771	2714
<I/σ(I)>	24.3	5.3
Completeness [%]	99.0	91
Redundancy	4.6	3.5
CC(1/2)	0.998	0.921

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M citrate pH 5, 1.6 M ammonium sulfate