8XXS

Crystal structure of PDE4D catalytic domain complexed with L11

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-09
Detector	RIGAKU HyPix-3000
Wavelength(s)	1.54056
Spacegroup name	P 21 21 21
Unit cell lengths	58.369, 80.433, 164.585
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.566 - 2.100
R-factor	0.230029403956
Rwork	0.228
R-free	0.27792
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.912
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.566	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.179	0.272
Number of reflections	45739	4515
<I/σ(I)>	19
Completeness [%]	99.8	99.82
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1M HEPES (pH 7.4), 0.1M MgCl2, 15% PEG3350, 10% isopropanol, 25% ethylene glycol