4Z0V

The structure of human PDE12 residues 161-609

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-31
Detector	RAYONIX MX-225
Wavelength(s)	0.9787
Spacegroup name	P 1 21 1
Unit cell lengths	56.688, 62.554, 65.393
Unit cell angles	90.00, 110.40, 90.00

Refinement procedure

Resolution	43.780 - 1.780
R-factor	0.1657
Rwork	0.165
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ng0
RMSD bond length	0.010
RMSD bond angle	1.010
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.4)
Refinement software	BUSTER (2.11.6)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.840
High resolution limit [Å]	1.780	3.830	1.780
Rmerge	0.073	0.035	0.402
Rmeas		0.040	0.470
Rpim		0.021	0.242
Number of reflections	41250
<I/σ(I)>	16.694
Completeness [%]	100.0	99.9	100
Redundancy	3.8	3.7	3.8
CC(1/2)		0.998	0.863

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.2M MgCl2 0.1M Tris pH 8.5 24% PEG 3350