5T1M

Cetuximab Fab in complex with CQYDLSTRRLKC

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	2011-06-07
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	64.200, 82.500, 212.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.990 - 2.530
R-factor	0.156
Rwork	0.153
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gw1
RMSD bond length	0.007
RMSD bond angle	1.144
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]	32.990	2.600
High resolution limit [Å]	2.530	2.530
Rmerge	0.059	0.300
Number of reflections	37657
<I/σ(I)>	24.7	5.21
Completeness [%]	97.6	91.3
Redundancy	4.9	4.5

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