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9qxq

native structure of full-length pesticidal protein Cry1Ca18 at pH9, from crystals formed in vivo

Method: X-RAY DIFFRACTION D_max: 175.8 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qxq
deposition_date	2025-04-16
title	native structure of full-length pesticidal protein Cry1Ca18 at pH9, from crystals formed in vivo
keywords	bacterial toxin, TOXIN; TOXIN
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	48.29 Å
rg_electron	49.35 Å
i0	217126000.00
molecular_weight	120600.0 kDa
excluded_volume	150630 Å³
envelope_volume	222410 Å³
shell_volume	41588 Å³
envelope_diameter	171.8 Å
shell_rg	46.50 Å
envelope_rg	48.88 Å
shape_rg	49.35 Å
total_rg	49.24 Å
total_atoms	8521
n_residues	1059
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	175.8 Å
rg_real	49.23 Å
rg_real_error	2.54 Å
i0_real	2.1710e+08
i0_real_error	4.8360e+06
rg_reciprocal	48.30 Å
i0_reciprocal	216900000.0000
total_estimate	0.7231
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	32.0 Å
skewness	0.542
kurtosis	-0.627
angular_range	— – 0.1650 Å⁻¹
current_alpha	0.0000
highest_alpha	15660000.0000
n_real_points	34
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.409; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.325; Smooth: 0.844

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Crystaline entomocidal protoxin
formula_weight	134853.9 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	9526

MEENNQNQCIPYNCLSNPEEVLLDGERISTGNSSIDISLSLVQFLVSNFVPGGGFLVGLIDFVWGIVGPSQWDAFLVQIEQLINERIAEFARNAAIANLEGLGNNFNIYVEAFKEWEEDPNNPATRTRVIDRFRILDGLLERDIPSFRISGFEVPLLSVYAQAANLHLAILRDSVIFGERWGLTTINVNENYNRLIRHIDEYADHCANTYNRGLNNLPKSTYQDWITYNRLRRDLTLTVLDIAAFFPNYDNRRYPIQPVGQLTREVYTDPLINFNPQLQSVAQLPTFNVMESSAIRNPHLFDILNNLTIFTDWFSVGRNFYWGGHRVISSLIGGGNITSPIYGREANQEPPRSFTFNGPVFRTLSNPTLRLLQQPWPAPPFNLRGVEGVEFSTPTNSFTYRGRGTVDSLTELPPEDNSVPPREGYSHRLCHATFVQRSGTPFLTTGVVFSWTHRSATLTNTIDPERINQIPLVKGFRVWGGTSVITGPGFTGGDILRRNTFGDFVSLQVNINSPITQRYRLRFRYASSRDARVIVLTGAASTGVGGQVSVNMPLQKTMEIGENLTSRTFRYTDFSNPFSFRANPDIIGISEQPLFGAGSISSGELYIDKIEIILADATFEAESDLERAQKAVNALFTSSNQIGLKTDVTDYHIDQVSNLVDCLSDEFCLDEKRELSEKVKHAKRLSDERNLLQDPNFRGINRQPDRGWRGSTDITIQGGDDVFKENYVTLPGTVDECYPTYLYQKIDESKLKAYTRYELRGYIEDSQDLEIYLIRYNAKHEIVNVPGTGSLWPLSAQSPIGKCGEPNRCAPHLEWNPDLDCSCRDGEKCAHHSHHFTLDIDVGCTDLNEDLGVWVIFKIKTQDGHARLGNLEFLEEKPLLGEALARVKRAEKKWRDKREKLQLETNIVYKEAKESVDALFVNSQYDRLQVDTNIAMIHAADKRVHRIREAYLPELSVIPGVNAAIFEELEGRIFTAYSLYDARNVIKNGDFNNGLLCWNVKGHVDVEEQNNHRSVLVIPEWEAEVSQEVRVCPGRGYILRVTAYKEGYGEGCVTIHEIEDNTDELKFSNCVEEEVYPNNTVTCNNYTGTQEEYEGTYSSRNQGYDEAFGNNPSVPADYASVYEEKSYTDGRRENPCESNRGYGDYTPLPAGYVTKDLEYFPETDKVWIEIGETEGTFIVDSVELLLMEE

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	716

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6. Citations (1)

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length_a	88.800 Å
length_b	88.800 Å
length_c	267.820 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	1.650 Å
resolution_low	26.910 Å
r_factor	0.1791
r_work	0.1776
r_free	0.2064

fit	/app/data/saxs_computation/qx/9qxq/9qxq.fit
pddf	/app/data/pr_computation/qx/9qxq/9qxq.pr.out
profile	/app/data/saxs_computation/qx/9qxq/9qxq.dat

native structure of full-length pesticidal protein Cry1Ca18 at pH9, from crystals formed in vivo

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction