6IMO

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	2018-06-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	58.547, 80.477, 163.861
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.273 - 1.550
R-factor	0.2066
Rwork	0.206
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tb7
RMSD bond length	0.006
RMSD bond angle	0.743
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]	29.273	1.567
High resolution limit [Å]	1.550	1.550
Number of reflections	113005
<I/σ(I)>	7.4
Completeness [%]	97.4
Redundancy	12.8
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 MgCl2, 10% Isoprpanol, 30% EG, 18% PEG 3350