5JAX

PKG I's Carboyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-Br-cGMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.99993
Spacegroup name	P 41 21 2
Unit cell lengths	47.010, 47.010, 102.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.737 - 1.486
R-factor	0.1693
Rwork	0.166
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ku7
RMSD bond length	0.009
RMSD bond angle	1.322
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]	51.290
High resolution limit [Å]	1.486
Rmerge	0.105
Number of reflections	19769
<I/σ(I)>	0.999
Completeness [%]	99.9
Redundancy	26.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		301	30% PEG 400, 200 mM CaAc, 0.1M NaAc pH 4.5-4.8