5HEB

The third PDZ domain from the synaptic protein PSD-95 in complex with a C-terminal peptide derived from CRIPT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	289
Detector technology	IMAGE PLATE
Collection date	2012-09-12
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 41 3 2
Unit cell lengths	89.771, 89.771, 89.771
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.147 - 1.650
R-factor	0.1694
Rwork	0.167
R-free	0.19450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1be9
RMSD bond length	0.007
RMSD bond angle	1.220
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10pre_2104)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.147	1.703
High resolution limit [Å]	1.650	1.650
Rmerge	0.034	0.289
Number of reflections	15083
<I/σ(I)>	61.571	2.478
Completeness [%]	97.6	76
Redundancy	13.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	Peptide was included in protein buffer to a final molar ratio of 2:1 relative to protein. Reservoir solution contained 1 M sodium citrate, pH 7.0. Equal amounts (1.5 microliters) of protein (9 mg/mL) and reservoir solution were mixed and equillibrated against 500 microliters of crystallization buffer.