9K8W

Crystal structure of the calcium indicator GCaMP6s-BrUS in calcium-bound state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS SIRIUS BEAMLINE MANACA
Synchrotron site	LNLS SIRIUS
Beamline	MANACA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-20
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.978
Spacegroup name	P 41 21 2
Unit cell lengths	121.540, 121.540, 97.902
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.520 - 2.650
R-factor	0.18334
Rwork	0.181
R-free	0.23561
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	2.949
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.520	2.780
High resolution limit [Å]	2.650	2.650
Rmerge	0.182	1.282
Rmeas	0.197	1.390
Rpim	0.072	0.525
Total number of observations	155713	19040
Number of reflections	21604	2826
<I/σ(I)>	9.1	1.5
Completeness [%]	99.3
Redundancy	7.2	6.7
CC(1/2)	0.994	0.491

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		288	0.2 M Ammonium tartrate dibasic, pH 7.0, 20% PEG 3350