9L5M

X-ray structure of sarcoplasmic Ca-binding protein (SCP), a calcium ion-binding protein from Pinctada fucata

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.900001
Spacegroup name	C 1 2 1
Unit cell lengths	96.823, 55.916, 102.164
Unit cell angles	90.00, 90.01, 90.00

Refinement procedure

Resolution	35.140 - 2.000
R-factor	0.2124
Rwork	0.212
R-free	0.21810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.569
Data reduction software	XDS (20230630)
Phasing software	MOLREP (11.0)
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.440	2.090
High resolution limit [Å]	2.000	2.000
Rpim	0.254	0.880
Number of reflections	36254	4398
<I/σ(I)>	5.6	1
Completeness [%]	97.6
Redundancy	3.5
CC(1/2)	0.930	0.628

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	28% (v/v) PEG 400, 100mM sodium acetate (pH 5.0), 200mM calcium acetate, 0.1M guanidine hydrochloride