3N85

Crystallographic trimer of HER2 extracellular regions in complex with tryptophan-rich antibody fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	110
Detector technology	CCD
Collection date	2007-07-10
Detector	ADSC QUANTUM 210
Wavelength(s)	.98
Spacegroup name	P 63 2 2
Unit cell lengths	182.220, 182.220, 330.851
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 3.200
R-factor	0.20689
Rwork	0.206
R-free	0.22989
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1S78 chain A 1FVD chains A B
RMSD bond length	0.006
RMSD bond angle	1.096
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	3.200
Number of reflections	52459
<I/σ(I)>	13
Completeness [%]	96.2
Redundancy	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	293	NaCl, Na/K-phosphate, Li-sulfate, pH 7.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	7.3	293	NaCl, Na/K-phosphate, Li-sulfate, pH 7.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K