2QYK

Crystal structure of PDE4A10 in complex with inhibitor NPV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-04-30
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1
Spacegroup name	P 41 21 2
Unit cell lengths	105.443, 105.443, 166.103
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.100
Rwork	0.201
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDE4D
RMSD bond length	0.006
RMSD bond angle	1.100
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.091	0.530
Number of reflections	55625
<I/σ(I)>	9.5	5
Completeness [%]	100.0	100
Redundancy	26.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	12% PEG400, 200 mM Mg acetate, 0.1M Tris HCl pH 8.5, 5% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 277K