9VSJ

Crystal structure of the genetically-encoded green calcium sensor icBTnC2 in its calcium bound-state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	KURCHATOV SNC BEAMLINE K4.4
Synchrotron site	KURCHATOV SNC
Beamline	K4.4
Temperature [K]	100
Detector technology	CCD
Collection date	2025-04-17
Detector	MAR CCD 165 mm
Wavelength(s)	0.75172
Spacegroup name	P 31 2 1
Unit cell lengths	128.697, 128.697, 52.737
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	55.730 - 1.550
R-factor	0.19847
Rwork	0.197
R-free	0.21958
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.913
Data reduction software	DIALS (3.21)
Data scaling software	Aimless (0.8.2)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.730	1.580
High resolution limit [Å]	1.550	1.550
Number of reflections	72730	3537
<I/σ(I)>	6.7	1.1
Completeness [%]	99.9
Redundancy	12.9
CC(1/2)	0.973	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		287	30% MPD,20mM CaCl2 ,100 mM NaAcetate pH 4.6