2YDB

Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, soaked with 2',3'-cyclic NADP

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	2010-05-14
Detector	MARRESEARCH MAR165
Spacegroup name	P 21 21 21
Unit cell lengths	41.740, 46.810, 106.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.452 - 2.150
R-factor	0.2004
Rwork	0.197
R-free	0.25550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xmi
RMSD bond length	0.006
RMSD bond angle	0.998
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]	25.000	2.210
High resolution limit [Å]	2.150	2.150
Rmerge	0.050	0.420
Number of reflections	11501
<I/σ(I)>	13.17	2.5
Completeness [%]	96.2	90.2
Redundancy	2.9	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		3.5		CRYSTALLIZATION: 50 MM NA-CITRATE PH 3.5 & 30 % PEG 3000, SOAKING: 50 MM NA-CITRATE PH 3.5, 35 % PEG 1500 & 100 MM 2,3-CYCLIC NADP FOR 25 MIN