crystal structure of apo MbUSP

Method: X-RAY DIFFRACTION D_max: 95.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9umk
deposition_date	2025-04-22
last_revision	2026-04-29
title	crystal structure of apo MbUSP
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	27.78 Å
rg_electron	26.89 Å
i0	72526800.00
molecular_weight	65708.0 kDa
excluded_volume	81842 Å³
envelope_volume	100910 Å³
shell_volume	31995 Å³
envelope_diameter	99.4 Å
shell_rg	33.51 Å
envelope_rg	27.09 Å
shape_rg	26.90 Å
total_rg	27.51 Å
total_atoms	4639
n_residues	604
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	95.8 Å
rg_real	27.82 Å
rg_real_error	0.66 Å
i0_real	7.2530e+07
i0_real_error	9.8630e+05
rg_reciprocal	27.81 Å
i0_reciprocal	72530000.0000
total_estimate	0.8664
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	31.9 Å
skewness	0.437
kurtosis	-0.119
angular_range	— – 0.2850 Å⁻¹
current_alpha	0.0000
highest_alpha	13710000.0000
n_real_points	58
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.777; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.978; Smooth: 0.949

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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	134.560 Å
length_b	134.560 Å
length_c	71.450 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 31 2 1
int_tables_number	152
crystal_system	—

resolution	2.180 Å
resolution_low	48.980 Å
r_factor	0.1987
r_work	0.1968
r_free	0.2373

description	mbUSP
formula_weight	67236.4 kDa
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	4741

crystal structure of apo MbUSP

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	Myxococcales
ncbi_taxonomy_id	29
host_organism	Escherichia coli

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	102

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