6RQR

Extended NHERF1 PDZ2 domain in complex with the PDZ-binding motif of CFTR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95370
Spacegroup name	I 21 21 21
Unit cell lengths	84.950, 85.039, 89.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.810 - 2.200
R-factor	0.2112
Rwork	0.206
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4q3h
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	16793	1653
<I/σ(I)>	4.3
Completeness [%]	99.3
Redundancy	3.5
CC(1/2)	0.984	0.634

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		288	1.65 M ammonium sulphate, 100 mM tri-sodium citrate pH 5.6