1KIL

Three-dimensional structure of the complexin/SNARE complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2001-09-20
Detector	CUSTOM-MADE
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	40.489, 60.425, 159.787
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.230 - 2.500 *
R-factor	0.237 *
Rwork	0.245
R-free	0.30300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sfc
RMSD bond length	0.010 *
RMSD bond angle	16.600 *
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.200	2.340
High resolution limit [Å]	2.500 *	2.500 *
Rmerge	0.046 *	0.169 *
Total number of observations	78881 *
Number of reflections	14111 *
<I/σ(I)>	24.8	4.3
Completeness [%]	99.6 *	99.4 *
Redundancy	5.3	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	4 *	27%(v/v) Iso-Propanol, 200mM MgCl2, 100mM Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris	20 (mM)	pH7.5
2	1	drop		130 (mM)
3	1	drop	protein	10 (mg/ml)
4	1	reservoir	isopropanol	35 (%(v/v))
5	1	reservoir		200 (mM)
6	1	reservoir	HEPES	100 (mM)	pH7.5