1G16

CRYSTAL STRUCTURE OF SEC4-GDP

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	2000-01-22
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9797,0.9794,0.9796
Spacegroup name	P 1
Unit cell lengths	56.007, 56.379, 59.374
Unit cell angles	95.25, 101.68, 116.20

Refinement procedure

Resolution	28.930 - 1.800
R-factor	0.276
Rwork	0.276
R-free	0.29600
RMSD bond length	0.006
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]	28.900	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.058	0.258
Total number of observations	408214 *
Number of reflections	104861
<I/σ(I)>	20
Completeness [%]	89.6	60.8
Redundancy	3.89	3.62

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	5.7	10 *	PEG 4000, 12% Cobalt Chloride, 70 mM Sodium cacodylate, pH 5.7, microbatch, temperature 21K
1	Batch method *	5.7	10 *	PEG 4000, 12% Cobalt Chloride, 70 mM Sodium cacodylate, pH 5.7, microbatch, temperature 21K
1	Batch method *	5.7	10 *	PEG 4000, 12% Cobalt Chloride, 70 mM Sodium cacodylate, pH 5.7, microbatch, temperature 21K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	Tris-HCl	20 (mM)
2	1	1		5 (mM)
3	1	1	PEG4000	12 (%(v/v))
4	1	1		70 (mM)
5	1	1	sodium cacodylate	100 (mM)