4MZV

Crystal structure of extracellular part of human EpCAM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-02
Detector	Bruker Platinum 135
Wavelength(s)	1.542
Spacegroup name	C 1 2 1
Unit cell lengths	88.022, 50.385, 67.828
Unit cell angles	90.00, 128.33, 90.00

Refinement procedure

Resolution	27.790 - 1.865
R-factor	0.1965
Rwork	0.194
R-free	0.24910
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.273
Data reduction software	PROTEUM2
Data scaling software	PROTEUM2
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.794	27.790	1.910
High resolution limit [Å]	1.860	5.060	1.860
Number of reflections	18527
<I/σ(I)>	33.98	86.54	2.6
Completeness [%]	99.2	99.6	85.5
Redundancy	26.6	46.19	6.33

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2M magnesium chloride, 0.1M TRIS-HCl, 30% w/v PEG 4000, 0.16 mM decyl-beta-D-maltopyranoside, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K