1W15

rat synaptotagmin 4 C2B domain in the presence of calcium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2003-11-29
Detector	CUSTOM
Spacegroup name	P 63 2 2
Unit cell lengths	91.490, 91.490, 122.142
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.930
R-factor	0.206
Rwork	0.204
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k5w
RMSD bond length	0.020
RMSD bond angle	1.821
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.2.0003)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.684	1.960
High resolution limit [Å]	1.930	1.930
Rmerge	0.054	0.719
Number of reflections	23368
<I/σ(I)>	41.5	2.3
Completeness [%]	99.9	99.9
Redundancy	11.9	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5		THE RAT SYNAPTOTAGMIN IV C2B DOMAIN WAS CRYSTALLIZED BY THE VAPOR DIFFUSION METHOD (HANGING DROP) BY MIXING 1 MICROLITER PROTEIN (IN 20 MM MES, 150 MM NACL AND 1 MM EDTA, PH 6.32) WITH 1 MICROLITER RESERVOIR SOLUTION (2.5M NACL, 0.1M CACL2, 0.1M HEPES, PH 7.5) SUSPENDED OVER 500 MICROLITERS RESERVOIR SOLUTION. HEXAGONAL CRYSTALS APPEARED OVERNIGHT AND GREW TO A FINAL SIZE OF 0.1 X 0.1 X 0.2 MM WITHIN TWO DAYS. PRIOR TO DATA COLLECTION, CRYSTALS WERE TRANSFERRED INTO CRYSTALLIZATION SOLUTION CONTAINING 20% (V/V) ETHYLENE GLYCOL FOR CRYSTALS GROWN IN 0.1 M CACL2, AND THEN COOLED IN LIQUID PROPANE.