3ET6

The crystal structure of the catalytic domain of a eukaryotic guanylate cyclase

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	2008-02-22
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 32 2 1
Unit cell lengths	123.678, 123.678, 62.822
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.000 - 2.550
R-factor	0.1738
Rwork	0.172
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1azs
RMSD bond length	0.015
RMSD bond angle	23.839
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.006	28.010	2.690
High resolution limit [Å]	2.550	8.060	2.550
Rmerge	0.074	0.027	0.521
Number of reflections	17490
<I/σ(I)>	7.612	22.2	1.3
Completeness [%]	96.2	90.9	98.2
Redundancy	4.3	4.4	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	0.1 M sodium cacodylate, pH 5.0 - 6.4, 42-62% saturated (NH4)2HPO4, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K