3ZBS

Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation V321A, crystallized with 2'-AMPS

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	2012-03-01
Detector	MARRESEARCH MX-165
Spacegroup name	P 21 21 21
Unit cell lengths	41.360, 46.880, 107.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.424 - 2.450
R-factor	0.1866
Rwork	0.184
R-free	0.24150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xmi
RMSD bond length	0.002
RMSD bond angle	0.572
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]	30.000	2.510
High resolution limit [Å]	2.450	2.450
Rmerge	0.140	0.980
Number of reflections	8049
<I/σ(I)>	13.2	2.2
Completeness [%]	99.1	97.6
Redundancy	6.6	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4	277	250 UM PROTEIN AND 10 MM 23-SP-CAMPS WERE MIXED IN 0.5 PLUS 0.5 UL DROPS WITH 25% PEG4000 AND 50 MM ACETATE PH 3 IN 4 DEG C