4WFR

Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation T232A, complexed with 2'-AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-2
Synchrotron site	MAX II
Beamline	I911-2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-02
Detector	MAR CCD 165 mm
Wavelength(s)	1.04088
Spacegroup name	P 1 21 1
Unit cell lengths	41.770, 47.094, 53.951
Unit cell angles	90.00, 94.36, 90.00

Refinement procedure

Resolution	34.214 - 2.000
R-factor	0.2186
Rwork	0.216
R-free	0.26630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xmi
RMSD bond length	0.003
RMSD bond angle	0.823
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000		2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.113	0.024	0.531
Rmeas	0.135	0.029	0.636
Total number of observations	45554
Number of reflections	13864	148	1008
<I/σ(I)>	9.62	38.72	2.31
Completeness [%]	97.0	83.6	96.1
Redundancy	3.3		3.2

Crystallization Conditions

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