1YY8

Crystal structure of the Fab fragment from the monoclonal antibody cetuximab/Erbitux/IMC-C225

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	64.400, 82.000, 211.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.000
Rwork	0.224
R-free	0.26390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdb ids 1IBG 1ad9
RMSD bond length	0.012
RMSD bond angle	1.764
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.073	0.297
Number of reflections	73414
<I/σ(I)>	12.7	5.5
Completeness [%]	95.6	0.968
Redundancy	8.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5		Ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP