2QYM

crystal structure of unliganded PDE4C2

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
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1
Spacegroup name	P 61 2 2
Unit cell lengths	74.738, 74.738, 275.910
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.900
Rwork	0.208
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDE4D
RMSD bond length	0.005
RMSD bond angle	1.060
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.095	0.630
Number of reflections	36952
<I/σ(I)>	8.7
Completeness [%]	99.9	99.9
Redundancy	36.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	10% PEG3350, 100 mM MgCl2, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K