6XW2

Crystal structure of the bright genetically encoded calcium indicator NCaMP7 based on mNeonGreen fluorescent protein

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	2019-05-30
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.79272
Spacegroup name	P 21 21 21
Unit cell lengths	61.900, 65.700, 93.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.990 - 1.750
R-factor	0.1647
Rwork	0.163
R-free	0.19330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mwc
RMSD bond length	0.014
RMSD bond angle	1.812
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.990	50.000	1.900
High resolution limit [Å]	1.750	10.000	1.750
Rmerge	0.158	0.027	0.842
Rmeas	0.165	0.029	0.881
Total number of observations	442254
Number of reflections	38947	248	8372
<I/σ(I)>	14.54	57.38	3.38
Completeness [%]	100.0	97.6	100
Redundancy	11.355	9.23	11.46
CC(1/2)	0.998	1.000	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M Sodium acetate pH 4.6; 0.2M Ammonium sulfate; 22% PEG 2000 MME