5HF1

The third PDZ domain from the synaptic protein PSD-95 (G330T mutant) in complex with a mutant C-terminal peptide derived from CRIPT (T-2F)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791833
Spacegroup name	P 41 3 2
Unit cell lengths	89.724, 89.724, 89.724
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.126 - 1.747
R-factor	0.2012
Rwork	0.199
R-free	0.21790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1be9
RMSD bond length	0.006
RMSD bond angle	0.937
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]	40.126	1.817
High resolution limit [Å]	1.747	1.747
Rmerge	0.055
Number of reflections	13010
<I/σ(I)>	67.804	1.844
Completeness [%]	99.5
Redundancy	27.3	26.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	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 6.8. Equal amounts (1.5 microliters) of protein (9 mg/mL) and reservoir solution were mixed and equillibrated against 500 microliters of crystallization buffer.