6N9T

Structure of a peptide-based photo-affinity cross-linker with Herceptin Fc

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]	93
Detector technology	PIXEL
Collection date	2017-08-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	66.112, 60.850, 68.167
Unit cell angles	90.00, 103.13, 90.00

Refinement procedure

Resolution	44.224 - 2.576
R-factor	0.2309
Rwork	0.229
R-free	0.26510
RMSD bond length	0.003
RMSD bond angle	0.585
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.12-2829))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.585
High resolution limit [Å]	2.576	2.576
Number of reflections	31910
<I/σ(I)>	8.6
Completeness [%]	100.0
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	291	100mM sodium acetate pH=5.6, 12%(w/v) PEG 1000