5HFB

The third PDZ domain from the synaptic protein PSD-95 (H372A mutant) 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]	100
Detector technology	IMAGE PLATE
Collection date	2012-09-20
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 41 3 2
Unit cell lengths	89.592, 89.592, 89.592
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.067 - 1.616
R-factor	0.178
Rwork	0.175
R-free	0.20330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1be9
RMSD bond length	0.006
RMSD bond angle	0.945
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]	40.067
High resolution limit [Å]	1.616
Rmerge	0.035	0.338
Number of reflections	15110
<I/σ(I)>	65.515	0.936
Completeness [%]	92.5
Redundancy	13.3	1.6

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 1.2 M sodium citrate, pH 7.0. Equal amounts (1.5 microliters) of protein (8 mg/mL) and reservoir solution were mixed and equillibrated against 500 microliters of crystallization buffer.