7WBO

Crystal structure of Sarcoplasmic Calcium-Binding Protein from Scylla paramamosain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97852
Spacegroup name	C 1 2 1
Unit cell lengths	81.121, 46.893, 64.474
Unit cell angles	90.00, 125.35, 90.00

Refinement procedure

Resolution	40.520 - 1.600
R-factor	0.1504
Rwork	0.149
R-free	0.18550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3aka
RMSD bond length	0.013
RMSD bond angle	1.832
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.055	0.082
Rmeas	0.033
Rpim		0.048
Number of reflections	24946	1235
<I/σ(I)>	18.6	15
Completeness [%]	95.5	95.4
Redundancy	3.7	3.8
CC(1/2)	0.980	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	20% (v/v) PEG 3350, 0.2M NH4Cl