7PAD

The crystal structure of DW-0254 in complex with PDE6D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 1 21 1
Unit cell lengths	44.507, 39.277, 44.803
Unit cell angles	90.00, 106.07, 90.00

Refinement procedure

Resolution	43.050 - 1.490
R-factor	0.1848
Rwork	0.184
R-free	0.20980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nal
RMSD bond length	0.008
RMSD bond angle	1.010
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	DIMPLE
Refinement software	BUSTER (2.11.7 (6-FEB-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.050	1.520
High resolution limit [Å]	1.490	1.490
Rmerge	0.063	0.653
Rmeas	0.088	0.896
Rpim		0.610
Number of reflections	23686	1162
<I/σ(I)>	9.2	2
Completeness [%]	97.0	99.4
Redundancy	2.8
CC(1/2)	0.996	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1 M Hepes pH7.0, 20 mM MgCl2, 20 mM NiCl2, 15 % PEG3350