3IAD

Crystal structure of human phosphodiesterase 4D with bound allosteric modulator

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-05
Detector	ADSC QUANTUM 210
Spacegroup name	P 21 21 21
Unit cell lengths	97.551, 111.997, 162.384
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.650
R-factor	0.217
Rwork	0.214
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.984
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	92.060	2.740
High resolution limit [Å]	2.650	2.650
Rmerge	0.192	0.803
Number of reflections	48999
<I/σ(I)>	4.1
Completeness [%]	93.2	95.2
Redundancy	5.2	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	100MM HEPES, 35% ETHYLENE GLYCOL, 5% GLYCEROL, 22% PEG 3350, pH 7.50, VAPOR DIFFUSION, SITTING DROP, temperature 293K