5T1K

Cetuximab Fab in complex with CQFDA(Ph)2STRRLKC

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	2011-09-02
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	64.280, 83.250, 212.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.200 - 2.480
R-factor	0.163
Rwork	0.160
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gw1
RMSD bond length	0.008
RMSD bond angle	1.149
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]	33.200	2.540
High resolution limit [Å]	2.480	2.480
Rmerge	0.053	0.248
Number of reflections	41117
<I/σ(I)>	23.5	4.7
Completeness [%]	99.1	90.3
Redundancy	4.6	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.1 CITRIC ACID, 0.1 M SODIUM HYDROGEN PHOSPHATE, 0.5 M POTASSIUM HYDROGEN PHOSPHATE, 1.6 M SODIUM DIHYDROGEN PHOSPHATE, PH 5.5