1E4X

crossreactive binding of a circularized peptide to an anti-TGFalpha antibody Fab-fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Collection date	1999-06-17
Detector	XRAY RESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	173.820, 45.090, 120.410
Unit cell angles	90.00, 99.13, 90.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.245 *
Rwork	0.245
R-free	0.31100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	TAB2
RMSD bond length	0.013
RMSD bond angle	0.036
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.038	0.257
Number of reflections	68086
<I/σ(I)>	29.7	2.4
Completeness [%]	92.9	82.8
Redundancy	5.2	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5		PROTEIN IN TRIS-HCL, 8.5, 6-10 MG/ML PRECIPITANT: 12% PEG 8000, 20 MM NA-ACETATE, pH 8.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6-10 (mg/ml)
2	1	reservoir	PEG8000	12 (%)
3	1	reservoir	sodium acetate	20 (mM)