9LRO

The crystal structure of PDE4D with T3700

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	2023-11-27
Detector	RIGAKU HyPix-3000
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	58.013, 80.725, 162.706
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.383 - 2.200
R-factor	0.203781393496
Rwork	0.202
R-free	0.24646
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wqa
RMSD bond length	0.019
RMSD bond angle	1.004
Data reduction software	CrysalisPro (v2.0)
Refinement software	REFMAC (v1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.384	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.083	0.286
Number of reflections	39073	3866
<I/σ(I)>	16
Completeness [%]	98.5	99.38
Redundancy	5.2	3.6

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