5SX5

Crystal Structure of panitumumab in complex with epidermal growth factor receptor domain 3 mutant S468R.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	80
Detector technology	CCD
Collection date	2014-11-07
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	65.073, 113.106, 231.403
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.979 - 2.500
R-factor	0.2269
Rwork	0.226
R-free	0.24980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yy9
RMSD bond length	0.002
RMSD bond angle	0.495
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (dev_2356)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.046	0.022	0.453
Rmeas	0.053
Rpim	0.026
Total number of observations	239127
Number of reflections	58643
<I/σ(I)>	14.2
Completeness [%]	97.6	99.6	92
Redundancy	4.1	4.2	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2.0 M AmSO4, 100 mM MES 6.5 and 5% peg 400