7U4Q

Human Synaptotagmin-1 C2A Y181F Ca2+ bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-01-18
Detector	ADSC QUANTUM 4
Wavelength(s)	0.81798
Spacegroup name	I 4
Unit cell lengths	99.810, 99.810, 77.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.060 - 1.560
R-factor	0.1648
Rwork	0.164
R-free	0.18880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wee
RMSD bond length	0.011
RMSD bond angle	1.253
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]	26.060	1.616
High resolution limit [Å]	1.560	1.560
Rmerge	0.040	1.899
Rmeas	0.042	2.013
Rpim	0.011	0.649
Number of reflections	53881	5347
<I/σ(I)>	27.72	1.07
Completeness [%]	99.9	99.63
Redundancy	14.2	9.2
CC(1/2)	1.000	0.434

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.1	298	100 mM HEPES, 2.3 M malonate