5ID1

Cetuximab Fab in complex with MPT-Cys 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	2012-04-12
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	64.160, 83.160, 212.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.430 - 2.490
R-factor	0.175
Rwork	0.173
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gw1
RMSD bond length	0.008
RMSD bond angle	1.191
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.430	2.550
High resolution limit [Å]	2.490	2.490
Rmerge	0.042	0.138
Number of reflections	40643
<I/σ(I)>	39.42	11
Completeness [%]	99.2	92.5
Redundancy	7.8	5.7

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, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K