4WDB

Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation R307Q, 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	38.880, 47.890, 107.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.743 - 1.600
R-factor	0.167
Rwork	0.165
R-free	0.20240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xmi
RMSD bond length	0.017
RMSD bond angle	1.758
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]	40.000		1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.052	0.020	1.869
Rmeas	0.057	0.022	2.025
Total number of observations	194176
Number of reflections	27315	376	1991
<I/σ(I)>	18.82	66.18	0.99
Completeness [%]	100.0	98.9	100
Redundancy	7.1		6.8

Crystallization Conditions

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