6J71

HuA21-scFv in complex with the extracellular domain(ECD) of HER2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.28211
Spacegroup name	C 1 2 1
Unit cell lengths	146.987, 78.073, 125.769
Unit cell angles	90.00, 107.47, 90.00

Refinement procedure

Resolution	40.024 - 2.918
R-factor	0.2108
Rwork	0.208
R-free	0.26680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h3b 3be1
RMSD bond length	0.012
RMSD bond angle	1.564
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.960
High resolution limit [Å]	2.918	2.918
Rmerge	0.120	0.623
Rmeas	0.131
Rpim	0.053
Number of reflections	28728	1279
<I/σ(I)>	13.89	2.06
Completeness [%]	96.8	84.5
Redundancy	6	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	0.1 M MES monohydrate pH 6.5, 12% (w/v) PEG 20,000