4WDH

Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation Y168A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-18
Detector	RAYONIX MX-225
Wavelength(s)	1.223
Spacegroup name	P 1 21 1
Unit cell lengths	39.310, 48.330, 54.030
Unit cell angles	90.00, 94.52, 90.00

Refinement procedure

Resolution	53.862 - 1.900
R-factor	0.2189
Rwork	0.217
R-free	0.25920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xmi
RMSD bond length	0.003
RMSD bond angle	0.714
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.000		1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.069	0.034	0.722
Rmeas	0.083	0.040	0.927
Total number of observations	42879
Number of reflections	14974	200	850
<I/σ(I)>	9.49	25.69	1.27
Completeness [%]	93.0	99	72.3
Redundancy	2.9		1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	Na-acetate, PEG 4000 / 6000