4WDA

Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation P296G, complexed with 2'-AMP

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	40.710, 46.840, 106.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.115 - 1.850
R-factor	0.2197
Rwork	0.218
R-free	0.24850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xmi
RMSD bond length	0.004
RMSD bond angle	0.823
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		1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.076	0.032	1.583
Rmeas	0.083	0.036	1.714
Total number of observations	124185
Number of reflections	17983	238	1307
<I/σ(I)>	12.79	37.83	1.18
Completeness [%]	99.8	96.7	99.9
Redundancy	6.9

Crystallization Conditions

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