4WDE

Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation T311A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X12
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X12
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-13
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	42.370, 46.440, 107.460
Unit cell angles	90.00, 93.93, 90.00

Refinement procedure

Resolution	19.673 - 2.400
R-factor	0.2537
Rwork	0.249
R-free	0.29900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xmi
RMSD bond length	0.002
RMSD bond angle	0.628
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]	20.000		2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.185	0.039	0.937
Rmeas	0.217	0.046	1.145
Total number of observations	59872
Number of reflections	16418	168	1101
<I/σ(I)>	6.99	22.69	1.29
Completeness [%]	98.8	81.6	89.6
Redundancy	3.6		3

Crystallization Conditions

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