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11te

Crystal Structure of ATP phosphoribosyltransferase from Bordetella pertussis

Method: X-RAY DIFFRACTION D_max: 65.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	11te
deposition_date	2026-03-12
last_revision	2026-03-25
title	Crystal Structure of ATP phosphoribosyltransferase from Bordetella pertussis
keywords	;SSGCID, STRUCTURAL GENOMICS, SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE, ATP phosphoribosyltransferase, Bordetella pertussis, TRANSFERASE ;; TRANSFERASE
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	19.88 Å
rg_electron	19.07 Å
i0	9271570.00
molecular_weight	22479.0 kDa
excluded_volume	28220 Å³
envelope_volume	33539 Å³
shell_volume	15575 Å³
envelope_diameter	66.8 Å
shell_rg	23.97 Å
envelope_rg	19.20 Å
shape_rg	19.10 Å
total_rg	19.76 Å
total_atoms	1575
n_residues	210
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	65.1 Å
rg_real	19.96 Å
rg_real_error	0.47 Å
i0_real	9.2720e+06
i0_real_error	1.1510e+05
rg_reciprocal	19.95 Å
i0_reciprocal	9272000.0000
total_estimate	0.7936
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	21.1 Å
skewness	0.447
kurtosis	-0.300
angular_range	— – 0.4000 Å⁻¹
current_alpha	0.0000
highest_alpha	2043000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.790; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.944; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	ATP phosphoribosyltransferase
formula_weight	24603.4 kDa
ec_number	2.4.2.17
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1716

MAHHHHHHAAPLTLALSKGRIFEETMPLLAEAGIEVPENPESSRKLILPTSDPGLRLIIVRASDVPTYVQYGAADLGIAGKDVLIEHAAQQSGRLYQPIDLNIAKCRLCVAVRQDFDYQAAVHQGARLRVATKYVQSAREHFAAKGVHVDIIKLYGSMELAPLVGLADAIVDLVSTGGTLRANGLAAVEDVMPISSRLIVNQAALKTRGARLQPLIDAFRRASERIA

Source

organism	Bordetella pertussis Tohama I
ncbi_taxonomy_id	257313
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	3

Entity 3 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	121

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6. Citations (1)

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length_a	83.269 Å
length_b	83.269 Å
length_c	63.770 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	1.550 Å
resolution_low	43.260 Å
r_factor	0.1947
r_work	0.1934
r_free	0.2186

fit	/app/data/saxs_computation/1t/11te/11te.fit
pddf	/app/data/pr_computation/1t/11te/11te.pr.out
profile	/app/data/saxs_computation/1t/11te/11te.dat