8YTA

The crystal structure of PDE8A with 1604R

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	2020-07-13
Detector	RIGAKU HyPix-3000
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	76.182, 133.184, 101.468
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.475 - 2.500
R-factor	0.211820209914
Rwork	0.211
R-free	0.22856
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ecm
RMSD bond length	0.002
RMSD bond angle	0.479
Data reduction software	CrysalisPro (171.39.46)
Refinement software	REFMAC (V8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.475	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.102	0.541
Number of reflections	18191	1794
<I/σ(I)>	19.5	3.3
Completeness [%]	99.9	99.94
Redundancy	8.4	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1 M Cacodylate Sodium pH 6.5, 15% Isopropanol, 30% Ethylene Glycol, 8%~13% PEG3350