7MFW

Drosophila melanogaster Canoe PDZ domain in complex with Echinoid C-terminal region

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 6
Unit cell lengths	114.563, 114.563, 31.637
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.500 - 2.104
R-factor	0.1956
Rwork	0.192
R-free	0.22560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3axa (Chain A res 1-91)
RMSD bond length	0.003
RMSD bond angle	0.724
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.8)
Refinement software	PHENIX (1.8)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.071	0.038	0.474
Rmeas	0.074	0.040	0.497
Rpim	0.022	0.012	0.147
Total number of observations	154188
Number of reflections	13954	1452	1360
<I/σ(I)>	10.4
Completeness [%]	98.6	97.5	99.3
Redundancy	11	10.7	11.3
CC(1/2)		0.999	0.966

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	18% PEG 3350, 300 mM sodium acetate