4WCB

Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation H309Q

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 21 21 21
Unit cell lengths	38.810, 48.270, 108.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.868 - 1.570
R-factor	0.1611
Rwork	0.159
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xmi
RMSD bond length	0.007
RMSD bond angle	1.083
Data reduction software	XDS (December 31, 2011)
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]	30.000		1.610
High resolution limit [Å]	1.570	7.020	1.570
Rmerge	0.070	0.020	0.938
Rmeas	0.076	0.022	1.032
Total number of observations	200891
Number of reflections	29179	375	2147
<I/σ(I)>	18.18	53.61	2.14
Completeness [%]	99.8	93.5	99.4
Redundancy	6.9

Crystallization Conditions

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