1Q5O

HCN2J 443-645 in the presence of cAMP, selenomethionine derivative

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2002-06-02
Detector	ADSC QUANTUM 4
Wavelength(s)	0.96429
Spacegroup name	P 4 21 2
Unit cell lengths	95.429, 95.429, 50.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.300
Rwork	0.216
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q43
RMSD bond length	0.006
RMSD bond angle	1.190 *
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]	20.000	2.440
High resolution limit [Å]	2.100	2.300
Rmerge	0.069
Number of reflections	13749
<I/σ(I)>	23.62
Completeness [%]	98.0	99.5
Redundancy	8.5

Crystallization Conditions

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