4WBL

Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation F235A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-19
Detector	RAYONIX MX-225
Wavelength(s)	1.223
Spacegroup name	P 1 21 1
Unit cell lengths	40.220, 47.770, 54.090
Unit cell angles	90.00, 94.73, 90.00

Refinement procedure

Resolution	27.437 - 2.501
R-factor	0.1983
Rwork	0.195
R-free	0.26490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xmi
RMSD bond length	0.002
RMSD bond angle	0.606
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]	30.000		2.570
High resolution limit [Å]	2.500	11.190	2.500
Rmerge	0.152	0.064	0.769
Rmeas	0.178	0.079	0.904
Total number of observations	25813
Number of reflections	7167	84	515
<I/σ(I)>	6.85	15.31	1.85
Completeness [%]	99.7	90.3	100
Redundancy	3.6		3.6

Crystallization Conditions

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