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9uml

crystal structure of MbUSP in complex with UDP-Gal

Method: X-RAY DIFFRACTION D_max: 92.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9uml
deposition_date	2025-04-22
last_revision	2026-04-29
title	crystal structure of MbUSP in complex with UDP-Gal
keywords	arabinokinase, 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	26.80 Å
rg_electron	25.85 Å
i0	73095700.00
molecular_weight	65367.0 kDa
excluded_volume	81186 Å³
envelope_volume	97671 Å³
shell_volume	31854 Å³
envelope_diameter	95.4 Å
shell_rg	32.89 Å
envelope_rg	26.00 Å
shape_rg	25.86 Å
total_rg	26.52 Å
total_atoms	4611
n_residues	598
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	92.4 Å
rg_real	26.79 Å
rg_real_error	0.72 Å
i0_real	7.3100e+07
i0_real_error	1.1140e+06
rg_reciprocal	26.80 Å
i0_reciprocal	73100000.0000
total_estimate	0.8646
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	31.3 Å
skewness	0.389
kurtosis	-0.177
angular_range	— – 0.2950 Å⁻¹
current_alpha	0.0000
highest_alpha	15300000.0000
n_real_points	60
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.768; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.967; Smooth: 0.966

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	MbUSP
formula_weight	65381.5 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4893

HMFDAEGQARALSETDAKTLHQALAWNQGHLFSHWPAPGEKQAAKSRQLEQIRMLDSRYPGGLSVYLENARRLLSAARRGDNPYAGFTPTVPTGRRLSFGSDAFDAAERAGLSIANRTAFVLVAGGLGERLGYNGIKIALPAETATGQSFIGRYIAHLLTLQTRSNALSGEDRRIRLAIMTSDDTDAATRRLLHEHGQFGMEPDQIAFIRQEKVPSLRDNEAHFAQAADDPYVIETKPHGHGDVHALLHHSGIAQAWLDEGIEHVAFFQDTNGLVFHALTAALGVSEREGYEVNSIVVPRRAGEAAGGIVRLEGEQQSLTINVEYNQLDPLLRATVNRDGDTPDANGYSPYPGNINVLVLALSPYVSALAKSGGMIPEFVNPKYNDAERTSFKKPTRLECMMQDYPKLLGPDAAVGFTEFERELCFSAVKNNLEDAAAKLNQGLPPESASSGEADLYALHRRYLRSAGADVPEAPKQTFAGIDVALFPIVVLGPTVITPRASTVESIQRLAMTDRSSLIIEGPGQVFIEDLRLDGALVIRAEAGAIVRVTGLSVKNRGWRAIAIRPGDKLPEATTIRGFRLERIETQQLVFDAPGEHVVS

Source

organism	Myxococcales
ncbi_taxonomy_id	29
host_organism	Escherichia coli

Entity 2 non-polymer

description	GALACTOSE-URIDINE-5'-DIPHOSPHATE
formula_weight	566.3 kDa
src_method	nat
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	282

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6. Citations (1)

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length_a	45.840 Å
length_b	99.910 Å
length_c	79.610 Å
angle_alpha	90.00 °
angle_beta	99.60 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.250 Å
resolution_low	38.980 Å
r_factor	0.1837
r_work	0.1812
r_free	0.2306

fit	/app/data/saxs_computation/um/9uml/9uml.fit
pddf	/app/data/pr_computation/um/9uml/9uml.pr.out
profile	/app/data/saxs_computation/um/9uml/9uml.dat

crystal structure of MbUSP in complex with UDP-Gal

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