1MFG

The Structure of ERBIN PDZ domain bound to the Carboxy-terminal tail of the ErbB2 Receptor

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F2
Synchrotron site	CHESS
Beamline	F2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-03-10
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97861
Spacegroup name	P 1 21 1
Unit cell lengths	26.605, 57.417, 30.439
Unit cell angles	90.00, 100.59, 90.00

Refinement procedure

Resolution	25.000 - 1.250
R-factor	0.1297
Rwork	0.128
R-free	0.16400 *
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	0.031
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.01)
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.290
High resolution limit [Å]	1.250	1.250
Rmerge	0.025 *	0.037 *
Number of reflections	24313
Completeness [%]	92.7 *	91.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3 *	20 *	12-15%PEG 4000, 100mM Ammonium Acetate, 100mM Sodium Acetate, 10% Glycerol, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 292K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	19 (mg/ml)
2	1	drop		500 (mM)
3	1	drop	Tris-HCl	50 (mM)	pH8.3
4	1	reservoir	PEG4000	12-15 (%)
5	1	reservoir	glycerol	10 (%)
6	1	reservoir	ammonium acetate	100 (mM)
7	1	reservoir	sodium acetate	100 (mM)	pH4.6