1TJM

Crystallographic Identification of Sr2+ Coordination Site in Synaptotagmin I C2B Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Wavelength(s)	0.9
Spacegroup name	P 32 2 1
Unit cell lengths	54.644, 54.644, 103.317
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.180
R-factor	0.15897
Rwork	0.158
R-free	0.17373
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k5w
RMSD bond length	0.017
RMSD bond angle	1.710
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.200
High resolution limit [Å]	1.180	1.180
Rmerge	0.048	0.190
Number of reflections	56844
<I/σ(I)>	31.1	3.4
Completeness [%]	95.5	56.2
Redundancy	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	277	ammonium sulfate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K