5JD7

PKG I's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with PET-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	2015-02-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97741
Spacegroup name	P 41 21 2
Unit cell lengths	46.290, 46.290, 102.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.185 - 1.749
R-factor	0.1967
Rwork	0.193
R-free	0.22650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ku7
RMSD bond length	0.012
RMSD bond angle	1.096
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall
Low resolution limit [Å]	42.185
High resolution limit [Å]	1.749
Rmerge	0.105
Number of reflections	11850
<I/σ(I)>	14.2
Completeness [%]	99.6
Redundancy	12.5
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	30% PEG 400, 200 mM CaAc, 0.1M NaAc pH 4.5-4.8.