3ZRT

Crystal structure of human PSD-95 PDZ1-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-03
Detector	MARRESEARCH
Spacegroup name	P 41 21 2
Unit cell lengths	112.150, 112.150, 196.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.679 - 3.398
R-factor	0.2214
Rwork	0.219
R-free	0.26380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2i1n
RMSD bond length	0.007
RMSD bond angle	0.985
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.580
High resolution limit [Å]	3.400	3.400
Rmerge	0.160	0.410
Number of reflections	16900
<I/σ(I)>	4.3	1.6
Completeness [%]	95.0	97
Redundancy	3.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.5		0.1 M SODIUM ACETATE TRIHYDRATE PH 6.0, 2.0 M SODIUM FORMATE AND 5 % PEG 4000 (DROP SIZE: 1 UL SAMPLE AND 1UL RESERVOIR SOLUTION)