5L0N

PKG I's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with RP-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	2015-10-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97741
Spacegroup name	P 21 21 21
Unit cell lengths	39.889, 54.305, 56.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.577 - 1.285
R-factor	0.1678
Rwork	0.167
R-free	0.18210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ku8
RMSD bond length	0.008
RMSD bond angle	0.966
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.880	1.310
High resolution limit [Å]	1.280	1.290
Rmerge	0.050	0.470
Number of reflections	31866
<I/σ(I)>	18.4	2.9
Completeness [%]	99.8	99.9
Redundancy	8	7
CC(1/2)	0.999	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	277	0.8 M Lithium sulfate monohydrate. 0.1 M Sodium acetate trihydrate pH 4.0, 4% v/v Polyethylene glycol 200