5JIZ

PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-pCPT-cGMP

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	2014-11-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97741
Spacegroup name	P 21 21 21
Unit cell lengths	42.200, 50.210, 65.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.849 - 1.500
R-factor	0.1812
Rwork	0.179
R-free	0.19840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bv6
RMSD bond length	0.013
RMSD bond angle	1.489
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	39.849
High resolution limit [Å]	1.500
Rmerge	0.082
Number of reflections	22476
<I/σ(I)>	12.1
Completeness [%]	98.0
Redundancy	4
CC(1/2)	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	277	20 mM CaCl2, 100 mM NaOAc, 30% MPD, pH 4.6, at 4oC