4WDG

Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation V321A, complexed with 2',5'-ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-09-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03149
Spacegroup name	P 21 21 21
Unit cell lengths	41.330, 46.940, 106.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.445 - 2.050
R-factor	0.2413
Rwork	0.235
R-free	0.29210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xmi
RMSD bond length	0.003
RMSD bond angle	0.701
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		2.100
High resolution limit [Å]	2.050	9.170	2.050
Rmerge	0.137	0.043	1.651
Rmeas	0.149	0.047	1.789
Total number of observations	90138
Number of reflections	13665	193	991
<I/σ(I)>	8.71	24.7	1.08
Completeness [%]	99.8	97	99.9
Redundancy	6.6		6.7

Crystallization Conditions

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