1XOQ

Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Roflumilast

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	93
Detector technology	CCD
Collection date	2004-03-31
Detector	ADSC QUANTUM 210
Wavelength(s)	1.1
Spacegroup name	P 21 21 21
Unit cell lengths	78.899, 60.116, 163.996
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	81.650 - 1.830
R-factor	0.17806
Rwork	0.177
R-free	0.20469
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.261
Data scaling software	ELVES
Phasing software	EPMR
Refinement software	REFMAC (5.1.25)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.650	1.878
High resolution limit [Å]	1.830	1.830
Rmerge	0.058
Number of reflections	64048
<I/σ(I)>	1.9	0.508
Completeness [%]	96.8	90.4
Redundancy	3.1	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	288	PEG3350, ethylene glycol, isopropanol, glycerol and DTT , pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 288K