5MZ7

Crystal Structure of the third PDZ domain from the synaptic protein PSD-95 with incorporated Azidohomoalanine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-27
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.00004
Spacegroup name	C 1 2 1
Unit cell lengths	153.207, 34.078, 72.244
Unit cell angles	90.00, 101.40, 90.00

Refinement procedure

Resolution	47.086 - 1.530
R-factor	0.1851
Rwork	0.184
R-free	0.22060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bfe
RMSD bond length	0.006
RMSD bond angle	0.736
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.090	1.620
High resolution limit [Å]	1.530	1.530
Rmerge	0.059	0.577
Number of reflections	54545
<I/σ(I)>	11.7	2.1
Completeness [%]	97.6	96.3
Redundancy	2.3	2.2
CC(1/2)	0.999	0.831

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	1.1 M sodium citrate, 0.1 M HEPES