4WCC

Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation P225G

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	2011-04-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97907
Spacegroup name	P 21 21 21
Unit cell lengths	40.790, 46.510, 106.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.998 - 2.700
R-factor	0.2244
Rwork	0.222
R-free	0.26750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xmi
RMSD bond length	0.004
RMSD bond angle	0.744
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]	50.000		2.770
High resolution limit [Å]	2.700	12.080	2.700
Rmerge	0.068	0.014	0.747
Rmeas	0.077	0.017	0.858
Total number of observations	25515
Number of reflections	5828	74	408
<I/σ(I)>	17.63	52.67	1.76
Completeness [%]	98.0	86	96.9
Redundancy	4.4		3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	Na-citrate, PEG 3350