5T1L

Cetuximab Fab in complex with CQA(Ph)2DLSTRRLKC peptide

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	2011-08-19
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	64.050, 82.970, 211.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.360 - 2.480
R-factor	0.16
Rwork	0.158
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gw1
RMSD bond length	0.008
RMSD bond angle	1.178
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.400	2.540
High resolution limit [Å]	2.480	2.480
Rmerge	0.059	0.280
Number of reflections	40655
<I/σ(I)>	24.9	5
Completeness [%]	99.4	92.6
Redundancy	6.2	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.1 M CITRIC ACID, 0.1 M SODIUM HYDROGEN PHOSPHATE, 0.4 M POTASSIUM HYDROGEN PHOSPHATE, 1.6 M SODIUM DIHYDROGEN PHOSPHATE, pH 5.5