The Structure of Bordetella Pertussis Virulence Factor P.69 Pertactin

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

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dab
deposition_date	1999-10-31
title	The Structure of Bordetella Pertussis Virulence Factor P.69 Pertactin
keywords	PERTUSSIS BETA HELIX, CELL ADHESION; CELL ADHESION
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	30.31 Å
rg_electron	30.33 Å
i0	51698100.00
molecular_weight	54574.0 kDa
excluded_volume	67700 Å³
envelope_volume	84301 Å³
shell_volume	25798 Å³
envelope_diameter	111.3 Å
shell_rg	33.68 Å
envelope_rg	30.82 Å
shape_rg	30.34 Å
total_rg	30.62 Å
total_atoms	3847
n_residues	539
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	30.75 Å
rg_real_error	1.05 Å
i0_real	5.1700e+07
i0_real_error	8.3150e+05
rg_reciprocal	30.57 Å
i0_reciprocal	51690000.0000
total_estimate	0.7530
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.2 Å
skewness	0.636
kurtosis	-0.297
angular_range	— – 0.2600 Å⁻¹
current_alpha	0.0000
highest_alpha	14320000.0000
n_real_points	53
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.553; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.472; Smooth: 0.655

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (1)

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length_a	176.199 Å
length_b	176.199 Å
length_c	104.688 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 63 2 2
int_tables_number	182
crystal_system	—

resolution	2.500 Å
resolution_low	20.000 Å
r_factor	0.2500
r_work	0.2500
r_free	0.2756

description	P.69 PERTACTIN
formula_weight	54627.9 kDa
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	4124

The Structure of Bordetella Pertussis Virulence Factor P.69 Pertactin

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 (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Bordetella pertussis
ncbi_taxonomy_id	520
host_organism	Escherichia coli

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	277

fit	/app/data/saxs_computation/da/1dab/1dab.fit
pddf	/app/data/pr_computation/da/1dab/1dab.pr.out
profile	/app/data/saxs_computation/da/1dab/1dab.dat