7QJK

Crystal structure of PDE6D in complex with Compound-2

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97951
Spacegroup name	P 41 21 2
Unit cell lengths	76.548, 76.548, 238.018
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.463 - 3.100
Rwork	0.246
R-free	0.28310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tb5
RMSD bond length	0.002
RMSD bond angle	1.091
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.550	3.310
High resolution limit [Å]	3.100	3.100
Number of reflections	12108	2194
<I/σ(I)>	5.6
Completeness [%]	90.6
Redundancy	8
CC(1/2)	0.975	0.343

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	1.2 M AmSO4 and 0.1 M ammonium acetate pH 4.9 at 291K