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12is

Crystal structure of a SnoaL-like domain-containing protein from Mycobacterium ulcerans (Zinc Bound)

Method: X-RAY DIFFRACTION D_max: 49.8 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	12is
deposition_date	2026-04-07
last_revision	2026-04-15
title	Crystal structure of a SnoaL-like domain-containing protein from Mycobacterium ulcerans (Zinc Bound)
keywords	;SSGCID, STRUCTURAL GENOMICS, SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE, SnoaL-like domain, Mycobacterium ulcerans, ISOMERASE ;; ISOMERASE
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	15.33 Å
rg_electron	13.85 Å
i0	4044440.00
molecular_weight	14190.0 kDa
excluded_volume	17718 Å³
envelope_volume	19908 Å³
shell_volume	12242 Å³
envelope_diameter	49.4 Å
shell_rg	19.59 Å
envelope_rg	14.11 Å
shape_rg	13.82 Å
total_rg	15.14 Å
total_atoms	997
n_residues	119
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	49.8 Å
rg_real	15.20 Å
rg_real_error	0.27 Å
i0_real	4.0440e+06
i0_real_error	4.0230e+04
rg_reciprocal	15.21 Å
i0_reciprocal	4044000.0000
total_estimate	0.7018
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	48.6 Å
skewness	0.067
kurtosis	-0.325
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	700300.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.787; Stabil: 1.000; Sysdev: 0.256; Positv: 1.000; Valcen: 0.998; Smooth: 0.992

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	SnoaL-like domain-containing protein
formula_weight	16936.1 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1217

MAHHHHHHMGTLEAQTQGPGSMVSIALLREMFEKMVVAKNAELIGHYYDPDFVMYSDGLRQEFAEFNEGHRKIYASAISYAIEYDEDAWVQAPDRVAGRVWITTSRPGEKPTRIEVILIAAYRDCRIHRIWETTWPSWRNVAALED

Source

organism	Mycobacterium ulcerans Agy99
ncbi_taxonomy_id	362242
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	DI(HYDROXYETHYL)ETHER
formula_weight	106.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	116

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6. Citations (1)

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length_a	62.071 Å
length_b	71.662 Å
length_c	56.341 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	1.310 Å
resolution_low	36.050 Å
r_factor	0.1503
r_work	0.1491
r_free	0.1742

fit	/app/data/saxs_computation/2i/12is/12is.fit
pddf	/app/data/pr_computation/2i/12is/12is.pr.out
profile	/app/data/saxs_computation/2i/12is/12is.dat