6IMD

Crystal structure of PDE4D complexed with a novel inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	58.400, 80.357, 163.441
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.017 - 1.499
R-factor	0.1688
Rwork	0.168
R-free	0.19030
RMSD bond length	0.015
RMSD bond angle	1.338
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.017	1.516
High resolution limit [Å]	1.499	1.499
Number of reflections	123931
<I/σ(I)>	7.9
Completeness [%]	92.7
Redundancy	12.9
CC(1/2)	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	0.1 M HEPES, 0.2 M MaCl2, 10% Isopropanol, 30% EG, 18% PEG 3350