9LRP

The crystal structure of PDE4D with 13c

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	2024-12-18
Detector	RIGAKU HyPix-3000
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	57.446, 80.498, 162.315
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.043 - 2.100
R-factor	0.217726761111
Rwork	0.215
R-free	0.26287
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wqa
RMSD bond length	0.009
RMSD bond angle	0.891
Data reduction software	CrysalisPro (v2.0)
Refinement software	REFMAC (v1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.043	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.068	0.198
Number of reflections	44296	4394
<I/σ(I)>	19.2
Completeness [%]	98.8	99.93
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1 M HEPES (pH 7.4), 0.1 M MgCl2, 12-15% PEG3350, 10% isopropanol, and 25% ethylene glycol