3BPZ

HCN2-I 443-460 E502K in the presence of cAMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	110
Detector technology	CCD
Collection date	2003-04-10
Detector	ADSC QUANTUM 4
Wavelength(s)	0.92
Spacegroup name	C 2 2 21
Unit cell lengths	123.899, 134.264, 134.359
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.650
R-factor	0.19139
Rwork	0.190
R-free	0.21578
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1Q43 WITHOUT LIGAND OR E502 SIDE-CHAIN
RMSD bond length	0.011
RMSD bond angle	1.315
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.073	0.043	0.410
Number of reflections	132486
<I/σ(I)>	17.6
Completeness [%]	99.0	99.5	91.5
Redundancy	13.9	14.4	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.6	279	PEG 400, SODIUM CITRATE, SODIUM CHLORIDE, DTT, HEPES, 5 mM CAMP, pH 4.6, VAPOR DIFFUSION, temperature 279K