3R0H

Structure of INAD PDZ45 in complex with NG2 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-22
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9789
Spacegroup name	P 21 21 21
Unit cell lengths	73.079, 134.988, 215.986
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.530 - 2.600
R-factor	0.2016
Rwork	0.198
R-free	0.26300
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.349
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.084	0.052	0.571
Number of reflections	66155
<I/σ(I)>	12.8
Completeness [%]	99.1	94.4	99.3
Redundancy	5	4.7	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	289	2.4M ammonium sulfate, Bicine buffer, pH 9.0, vapor diffusion, hanging drop, temperature 289K
1	VAPOR DIFFUSION, HANGING DROP	9	289	2.4M ammonium sulfate, Bicine buffer, pH 9.0, vapor diffusion, hanging drop, temperature 289K