5ESQ

Cetuximab Fab in complex with cyclic beta-alanine-linked meditope

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	2011-09-08
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	64.140, 82.570, 212.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.260 - 2.550
R-factor	0.1923
Rwork	0.190
R-free	0.24190
RMSD bond length	0.004
RMSD bond angle	0.757
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.260	2.620
High resolution limit [Å]	2.550	2.550
Rmerge	0.076
Number of reflections	37518
<I/σ(I)>	20.57	4.9
Completeness [%]	99.2	93
Redundancy	5.49

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M citric acid, 0.1 M sodium hydrogen phosphate, 0.4 M potassium hydrogen phosphate, 1.6 M sodium dihydrogen phosphate