8YLC

The crystal structure of PDE4D with Amentoflavone

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	2022-06-13
Detector	RIGAKU HyPix-3000
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	57.901, 78.791, 162.394
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.519 - 2.300
R-factor	0.216091242956
Rwork	0.214
R-free	0.25833
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.542
Refinement software	REFMAC (1.10_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.520	2.380
High resolution limit [Å]	2.100	2.300
Rmerge	0.133	0.276
Number of reflections	33721	3323
<I/σ(I)>	10.6	3.2
Completeness [%]	99.8	100
Redundancy	4.4

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