1Q3E

HCN2J 443-645 in the presence of cGMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2002-07-19
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97
Spacegroup name	I 4
Unit cell lengths	94.236, 94.236, 124.008
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 1.900
Rwork	0.210
R-free	0.23900 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007 *
RMSD bond angle	1.230 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.350	2.020
High resolution limit [Å]	1.900	1.900
Rmerge	0.056	0.242
Number of reflections	41314
<I/σ(I)>	31.1
Completeness [%]	97.2	85
Redundancy	35.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	4 *	PEG 400, sodium citrate, sodium chloride, DTT, HEPES, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		200 (mM)
2	1	reservoir	citrate	100 (mM)	pH4.6
3	1	reservoir	PEG400	15 (%)
4	1	drop	protein	2.3 (mg/ml)