1TJX

Crystallographic Identification of Ca2+ Coordination Sites 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
Spacegroup name	P 32 2 1
Unit cell lengths	54.550, 54.550, 103.590
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.500 - 1.040
R-factor	0.167
Rwork	0.166
R-free	0.18400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k5w
RMSD bond length	0.017
RMSD bond angle	1.714
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	1.060
High resolution limit [Å]	1.040	1.040
Rmerge	0.103	0.416
Number of reflections	85544
<I/σ(I)>	19.3	1.62
Completeness [%]	99.0	96.6
Redundancy	5.55

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5	277	ammonium sulfate , pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 5.00