2YPC

Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation H309S, crystallized with 2',3-(SP)-Cyclic-AMPS

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	PIXEL
Collection date	2012-04-18
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 1 21 1
Unit cell lengths	40.280, 47.490, 53.760
Unit cell angles	90.00, 94.89, 90.00

Refinement procedure

Resolution	40.133 - 1.894
R-factor	0.167
Rwork	0.165
R-free	0.21280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xmi
RMSD bond length	0.008
RMSD bond angle	1.030
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.100	1.940
High resolution limit [Å]	1.890	1.890
Rmerge	0.040	0.280
Number of reflections	15833
<I/σ(I)>	25.4	4.3
Completeness [%]	97.4	82.4
Redundancy	3.7	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4		250 UM PROTEIN AND 10 MM 23(SP)-CYCLIC-AMPS MIXED IN 0.5 PLUS 0.5 UL DROPS WITH 25% PEG6000 AND 50 MM ACETATE (PH3:PH5 2:1) IN RT, pH 4