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9v59

Crystal structure of calcium indicator WHaloCaMP1a labeled with BD566-HTL substrate

Method: X-RAY DIFFRACTION D_max: 105.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9v59
deposition_date	2025-05-25
title	Crystal structure of calcium indicator WHaloCaMP1a labeled with BD566-HTL substrate
keywords	calcium indicator, BIOSYNTHETIC PROTEIN; BIOSYNTHETIC 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	33.35 Å
rg_electron	32.68 Å
i0	317602000.00
molecular_weight	96924.0 kDa
excluded_volume	94343 Å³
envelope_volume	160780 Å³
shell_volume	40721 Å³
envelope_diameter	112.9 Å
shell_rg	39.88 Å
envelope_rg	32.13 Å
shape_rg	32.63 Å
total_rg	33.17 Å
total_atoms	7328
n_residues	924
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	105.0 Å
rg_real	33.28 Å
rg_real_error	0.85 Å
i0_real	3.1760e+08
i0_real_error	4.7030e+06
rg_reciprocal	33.33 Å
i0_reciprocal	317600000.0000
total_estimate	0.9045
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	35.8 Å
skewness	0.192
kurtosis	-0.586
angular_range	— – 0.2350 Å⁻¹
current_alpha	0.0000
highest_alpha	45000000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.941; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.943

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	WHaloCaMP1a
formula_weight	53341.9 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	7736

AEIGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYVWRNIIPHVAPTHRCIAPDLIGMGKSDKPDLGYFFDDHVRFMDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIAFMEFIRPIPTWDEWPEFARETFQAFRTTDVGRKLIIDQNVFIEWTLPMAVARARRKWQKTGHAVRAIGRLSSGGSGGSGGSGGSDQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGNGTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGYISAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMTAKYLTEVEMDHYREPFLNPVDREPLWRFPNELPIAGEPANIVALVEEYMDWLHQSPVPKLLFWGTPGVLIPPAEAARLAKSLPNCKAVDIGPGLNLLQEDNPDLIGSEIARWLSTLEIS

Source

organism	Escherichia
ncbi_taxonomy_id	561
host_organism	Escherichia

Entity 2 non-polymer

description	alpha-D-glucopyranose
formula_weight	180.2 kDa
src_method	syn
entity_count	9

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	8

Entity 4 non-polymer

description	2-[3,6-bis[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]-1H-xanthen-9-yl]-4-[2-(2-hexoxyethoxy)ethylcarbamoyl]benzoic acid
formula_weight	739.9 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	2

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	392

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6. Citations (1)

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length_a	61.936 Å
length_b	94.184 Å
length_c	76.041 Å
angle_alpha	90.00 °
angle_beta	101.34 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.175 Å
resolution_low	32.795 Å
r_factor	0.2075
r_work	0.2053
r_free	0.2548

fit	/app/data/saxs_computation/v5/9v59/9v59.fit
pddf	/app/data/pr_computation/v5/9v59/9v59.pr.out
profile	/app/data/saxs_computation/v5/9v59/9v59.dat