3U7U

Crystal structure of extracellular region of human epidermal growth factor receptor 4 in complex with neuregulin-1 beta

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-22
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.98011
Spacegroup name	P 1 21 1
Unit cell lengths	85.730, 223.510, 146.920
Unit cell angles	90.00, 99.72, 90.00

Refinement procedure

Resolution	49.630 - 3.030
R-factor	0.1914
Rwork	0.190
R-free	0.22720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTREIS 1MOX AND 2AHX
RMSD bond length	0.010
RMSD bond angle	1.260
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	BUSTER-TNT (BUSTER 2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.080
High resolution limit [Å]	3.030	8.210	3.030
Rmerge	0.116	0.069	0.685
Number of reflections	104051
<I/σ(I)>	8.8
Completeness [%]	98.9	99.1	87
Redundancy	3.7	3.8	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	PEG6000, Mg(OAc)2, MES pH6.0, Hampton Silver Bullet, VAPOR DIFFUSION, HANGING DROP, temperature 293K