7TX9

Human Synaptotagmin-1 C2B Y312F Ca2+ bound

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	2011-02-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.09717
Spacegroup name	P 32 2 1
Unit cell lengths	54.290, 54.290, 102.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.610 - 1.340
R-factor	0.1703
Rwork	0.169
R-free	0.18830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6tz3
RMSD bond length	0.009
RMSD bond angle	1.201
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.610	1.380
High resolution limit [Å]	1.340	1.340
Rmerge	0.067	1.244
Rmeas	0.069	1.519
Rpim	0.017	0.853
Number of reflections	38659	3196
<I/σ(I)>	24.3	0.79
Completeness [%]	96.4	80.61
Redundancy	14.4	2.7
CC(1/2)	1.000	0.407

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	298	100 mM sodium acetate pH 4.5,200 mM ammonium sulfate, 50% w/v PEG 2000MME