6IMR

Crystal structure of PDE4D complexed with a novel inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	58.120, 80.624, 163.669
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.902 - 1.503
R-factor	0.2124
Rwork	0.211
R-free	0.23660
RMSD bond length	0.006
RMSD bond angle	0.778
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]	30.902	1.520
High resolution limit [Å]	1.503	1.503
Number of reflections	122545
<I/σ(I)>	10.6
Completeness [%]	99.5
Redundancy	13

Crystallization Conditions

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