6I07

Crystal structure of EpCAM in complex with scFv

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-04
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	80.886, 91.071, 181.445
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.700 - 2.350
R-factor	0.23267
Rwork	0.230
R-free	0.27876
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1svz 4mzv
RMSD bond length	0.007
RMSD bond angle	1.418
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.700	2.420
High resolution limit [Å]	2.350	2.350
Rmerge	0.061	1.175
Number of reflections	56398	4410
<I/σ(I)>	14.7	1.1
Completeness [%]	99.2	98
Redundancy	4.8	4.6
CC(1/2)	0.999	0.514

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	6.4	293	0.1 M PCTP pH 6.4, 21 % w/v PEG 1500