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9vsj

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

Method: X-RAY DIFFRACTION D_max: 67.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9vsj
deposition_date	2025-07-08
title	Crystal structure of the genetically-encoded green calcium sensor icBTnC2 in its calcium bound-state
keywords	mBaoJin2, green fluorescent protein, FLUORESCENT PROTEIN, indicator, sensor, calcium; FLUORESCENT PROTEIN
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	20.98 Å
rg_electron	19.76 Å
i0	20881800.00
molecular_weight	33855.0 kDa
excluded_volume	41898 Å³
envelope_volume	48859 Å³
shell_volume	20649 Å³
envelope_diameter	67.8 Å
shell_rg	26.16 Å
envelope_rg	20.07 Å
shape_rg	19.74 Å
total_rg	20.69 Å
total_atoms	2377
n_residues	298
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	67.7 Å
rg_real	20.90 Å
rg_real_error	0.34 Å
i0_real	2.0880e+07
i0_real_error	2.5370e+05
rg_reciprocal	20.92 Å
i0_reciprocal	20880000.0000
total_estimate	0.8990
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.5 Å
skewness	0.236
kurtosis	-0.468
angular_range	— – 0.3800 Å⁻¹
current_alpha	0.0000
highest_alpha	4573000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.896; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.995

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	;icBTnC2 - the genetically-encoded green calcium sensor based on the fluorescent protein mBaoJin and calcium binding domain of C-terminal minimal domain of troponin C from Calypte Anna ;
formula_weight	35098.3 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2671

MVSKGEEENMASTPFKFQLKGTINGKSFTVEGEGEGDPHEGSHKGKYVCTSGKLPMSWAALGTTFXMKYYTKYPSGLKNWFREVMPGGFTYDRHIQYTGDGSIHAKHQHFMKNGTYHNIVEFTGQDFKENSPVLTGDMNVNVCPVEELAIYFRIFDRNADGFLDAEELAELLRATGVQVAEEDMGDMMKDSDKNNDGRIDFDEFLKMMEGVQQHTSLPTEVPQIPRNDGIECPVTLLYPLLSDKSKYVEAHQYTICKPLHNQPAPDVPYHWIRKQYAQSKDDAEERDHICQSETLVAHLKGMDELYK

Source

organism	synthetic construct
ncbi_taxonomy_id	32630
host_organism	Escherichia coli

Entity 2 non-polymer

description	DI(HYDROXYETHYL)ETHER
formula_weight	106.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	248

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6. Citations (1)

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length_a	128.697 Å
length_b	128.697 Å
length_c	52.737 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 31 2 1
int_tables_number	152
crystal_system	—

resolution	1.550 Å
resolution_low	55.730 Å
r_factor	0.1985
r_work	0.1974
r_free	0.2196

fit	/app/data/saxs_computation/vs/9vsj/9vsj.fit
pddf	/app/data/pr_computation/vs/9vsj/9vsj.pr.out
profile	/app/data/saxs_computation/vs/9vsj/9vsj.dat