1L4A

X-RAY STRUCTURE OF THE NEURONAL COMPLEXIN/SNARE COMPLEX FROM THE SQUID LOLIGO PEALEI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2001-11-19
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9150
Spacegroup name	P 21 21 21
Unit cell lengths	26.072, 75.430, 243.109
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.950
R-factor	0.3004
Rwork	0.297
R-free	0.34450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sfc
RMSD bond length	0.008
RMSD bond angle	20.200 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	BEAST
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.000 *	3.130
High resolution limit [Å]	2.950	2.950
Rmerge	0.086	0.219
Total number of observations	41657 *
Number of reflections	10128
<I/σ(I)>	4.7	3.1
Completeness [%]	93.6	93
Redundancy	4.1	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	20 *	5% MPD, 7.5% PEG550-MME, 20MM beta mercaptoethanol, 20MM Tris PH 7.2, 50MM sodium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12 (mg/ml)
2	1	drop	MPD	4-5.5 (%(v/v))
3	1	drop	PEG550 MME	7-8 (%(w/v))
4	1	drop	beta-mercaptoethanol	20 (mM)
5	1	reservoir	MPD	10 (%(w/v))
6	1	reservoir	PEG550 MME	16 (%(w/v))