9LRN

The crystal structure of PDE2A with 13t

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	2023-10-23
Detector	RIGAKU HyPix-3000
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	56.115, 73.419, 91.066
Unit cell angles	109.67, 91.05, 90.67

Refinement procedure

Resolution	23.740 - 2.500
R-factor	0.2469
Rwork	0.244
R-free	0.30040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4htz
RMSD bond length	0.003
RMSD bond angle	0.579
Data reduction software	CrysalisPro (v1.0)
Refinement software	REFMAC (v1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.740	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.100	0.284
Number of reflections	46924	4725
<I/σ(I)>	15.99	4.75
Completeness [%]	99.3	100
Redundancy	5.1	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.1 M Tris-HCl, pH=8.5, 0.2 M MgCl2, 18% PEG3350