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9qhl

ExsF in complex with BclA N-ter peptide

Method: X-RAY DIFFRACTION D_max: 61.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qhl
deposition_date	2025-03-16
last_revision	2026-03-25
title	ExsF in complex with BclA N-ter peptide
keywords	Exosporium, STRUCTURAL PROTEIN; STRUCTURAL 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	21.17 Å
rg_electron	20.16 Å
i0	35037200.00
molecular_weight	50019.0 kDa
excluded_volume	64258 Å³
envelope_volume	69183 Å³
shell_volume	27141 Å³
envelope_diameter	64.1 Å
shell_rg	28.12 Å
envelope_rg	20.28 Å
shape_rg	20.15 Å
total_rg	21.10 Å
total_atoms	3540
n_residues	488
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	61.1 Å
rg_real	20.96 Å
rg_real_error	0.23 Å
i0_real	3.5040e+07
i0_real_error	3.8300e+05
rg_reciprocal	21.00 Å
i0_reciprocal	35040000.0000
total_estimate	0.8296
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.9 Å
skewness	0.001
kurtosis	-0.562
angular_range	— – 0.3750 Å⁻¹
current_alpha	0.0000
highest_alpha	16080000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.940; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.963; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Exosporium protein ExsF
formula_weight	16171.5 kDa
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	A,E,G
atom_count	4082

MHHHHHHTLPAFGFAFNASAPQFASLFTPLLLPSVSPNPNIPVPVINDTVSVGDGIRILRAGIYQISYTLTISLDNSPVAPEAGRFFLSLGTPANIIPGSGTAVRSNVIGTGEVDVSSGVILINLNPGDLIQIVPVQLIGTVDIRAAALTVAQIS

Source

organism	Bacillus thuringiensis
ncbi_taxonomy_id	1428
host_organism	Escherichia coli

Entity 2 polymer

description	Exosporium leader peptide-containing protein
formula_weight	1573.8 kDa
src_method	syn
entity_count	3

Polymer

type	polypeptide(L)
strand_id	D,F,H

FDPNLVGPTLPPIPP

Entity 3 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	535

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6. Citations (1)

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length_a	125.353 Å
length_b	47.639 Å
length_c	97.905 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	12

space_group	P 21 21 2
int_tables_number	18
crystal_system	orthorhombic

resolution	1.930 Å
resolution_low	62.680 Å
r_factor	0.1690
r_work	0.1671
r_free	0.2049

fit	/app/data/saxs_computation/qh/9qhl/9qhl.fit
pddf	/app/data/pr_computation/qh/9qhl/9qhl.pr.out
profile	/app/data/saxs_computation/qh/9qhl/9qhl.dat

ExsF in complex with BclA N-ter peptide

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

5. Entities & Polymer Info (4)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)