5TZ3

CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX with [1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-N-(naphthalene-2-yl)piperidine-3-carboxamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-08-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97741
Spacegroup name	P 1
Unit cell lengths	55.754, 72.727, 90.517
Unit cell angles	109.21, 90.70, 91.19

Refinement procedure

Resolution	68.653 - 1.720
R-factor	0.1927
Rwork	0.191
R-free	0.23270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.997
Data scaling software	XSCALE
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX (phenix.refine: 1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.653	1.680
High resolution limit [Å]	1.640	1.640
Rmerge	0.046	0.593
Number of reflections	135819
<I/σ(I)>	10.1
Completeness [%]	89.9	50.3
Redundancy	1.9	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.4	293	17-19% PEG3350, 0.2M MgCl2, 0.1M Tris, pH 8.4