6U4U

1.3 A structure of a pathogenic human Syt 1 C2B (I368T)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-05-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.09895
Spacegroup name	P 32 2 1
Unit cell lengths	54.410, 54.410, 103.770
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.320 - 1.300
R-factor	0.1446
Rwork	0.143
R-free	0.16940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uow
RMSD bond length	0.009
RMSD bond angle	1.022
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.320	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.033	0.430
Rmeas	0.038	0.525
Number of reflections	44167	2027
<I/σ(I)>	21	2.5
Completeness [%]	99.2
Redundancy	4.5
CC(1/2)	1.000	0.847

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	1.5 M Ammonium Sulfate, 0.1 M Sodium Acetate