6BGT

Structure of Trastuzumab Fab mutant in complex with Her2 extracellular domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9536
Spacegroup name	P 21 21 21
Unit cell lengths	62.860, 114.460, 204.279
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.927 - 2.700
R-factor	0.207
Rwork	0.205
R-free	0.24750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n8z
RMSD bond length	0.005
RMSD bond angle	0.831
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.200	2.810
High resolution limit [Å]	2.700	2.700
Number of reflections	41043
<I/σ(I)>	12.7
Completeness [%]	99.0
Redundancy	10.1
CC(1/2)	0.998	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	100 mM MES, pH 6.5, 18% PEG3350, 10% glycerol