1G17

CRYSTAL STRUCTURE OF SEC4-GUANOSINE-5'-(BETA,GAMMA)-IMIDOTRIPHOSPHATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	1999-02-13
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9802,0.9800,0.9537
Spacegroup name	P 65
Unit cell lengths	84.504, 84.504, 86.469
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.700 - 2.000
R-factor	0.264
Rwork	0.264
R-free	0.29200
RMSD bond length	0.007
RMSD bond angle	22.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.091	0.624
Total number of observations	87371 *
Number of reflections	23496
<I/σ(I)>	13.2
Completeness [%]	99.7	99.4
Redundancy	3.72	3.48

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *	21 *	drop consists of equal amounts of protein and reservoir solutions *
1	Vapor diffusion, hanging drop *	8 *	21 *	drop consists of equal amounts of protein and reservoir solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	25 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)
3	1	drop		5 (mM)
4	1	drop	dithiothreitol	1 (mM)
5	1	drop		100 (mM)
6	1	reservoir	PEG4000	25 (%(v/v))
7	1	reservoir	ethylene glycol	25-30 (%(v/v))
8	1	reservoir		0.2 (M)
9	1	reservoir	sodium HEPES	100 (mM)