6IMI

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	2018-07-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	58.414, 80.530, 163.844
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.579 - 1.460
R-factor	0.1812
Rwork	0.180
R-free	0.20650
RMSD bond length	0.008
RMSD bond angle	0.893
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]	28.579	1.477
High resolution limit [Å]	1.460	1.460
Number of reflections	133782
<I/σ(I)>	9.7
Completeness [%]	94.7
Redundancy	12.6
CC(1/2)	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	0.1 M HEPES, 0.2 M MgCl2, 10% Isopropanol, 30% EG, 18% PEG 3350