5OAK

Structure of the dmPar3 PDZ1 domain in complex with the dmPar6 PBM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-15
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1
Spacegroup name	P 31
Unit cell lengths	60.880, 60.880, 65.050
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.959 - 1.500
R-factor	0.1418
Rwork	0.140
R-free	0.16910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2w4f
RMSD bond length	0.015
RMSD bond angle	1.636
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.959	40.959	1.540
High resolution limit [Å]	1.500	6.700	1.500
Rmerge	0.043	0.038	0.848
Rmeas	0.045	0.040	0.898
Total number of observations	443891
Number of reflections	43343	480	3218
<I/σ(I)>	26.63	70.65	2.55
Completeness [%]	99.9	99.6	98.9
Redundancy	10.241	10.325	9.291
CC(1/2)	0.999	0.999	0.748

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M BisTris pH 6.5, 2 M Ammoniumsulfate