1EO6

CRYSTAL STRUCTURE OF GATE-16

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-03-02
Detector	ADSC QUANTUM 4
Spacegroup name	P 1 21 1
Unit cell lengths	40.300, 76.330, 49.710
Unit cell angles	90.00, 92.81, 90.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.229 *
Rwork	0.229
R-free	0.25600
RMSD bond length	0.006
RMSD bond angle	1.220
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.060	0.252
Number of reflections	27335
<I/σ(I)>	15.4
Completeness [%]	97.8	97.2
Redundancy	4.2	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	PEG 8000, Tris, Calcium acetate, dimethyl sulfoxide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris	100 (mM)
2	1	reservoir	calcium acetate	100 (mM)
3	1	reservoir	PEG8000	22 (%)
4	1	reservoir		10 (%)