SAXSdb — 9sgt

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1. Structure Basics

entry_id	9sgt
deposition_date	2025-08-22
title	S315G KatG mutant one Heme
keywords	Catalase, Peoxidase, Enzyme, Heme, METAL BINDING PROTEIN; METAL BINDING PROTEIN
method	ELECTRON MICROSCOPY

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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	35.32 Å
rg_electron	34.57 Å
i0	297798000.00
molecular_weight	139110.0 kDa
excluded_volume	173750 Å³
envelope_volume	219030 Å³
shell_volume	51788 Å³
envelope_diameter	114.8 Å
shell_rg	41.97 Å
envelope_rg	34.35 Å
shape_rg	34.57 Å
total_rg	35.07 Å
total_atoms	9832
n_residues	1284
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	112.9 Å
rg_real	35.21 Å
rg_real_error	0.60 Å
i0_real	2.9780e+08
i0_real_error	4.8370e+06
rg_reciprocal	35.28 Å
i0_reciprocal	297800000.0000
total_estimate	0.8989
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	42.6 Å
skewness	0.201
kurtosis	-0.529
angular_range	— – 0.2250 Å⁻¹
current_alpha	0.0003
highest_alpha	97440000.0000
n_real_points	46
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.927; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.900

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

Entity 1 polymer

description	Catalase-peroxidase
formula_weight	84039.2 kDa
ec_number	1.11.1.21
mutation	S315G
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	9832

HHHHHHNTSGSGGGGGRLBPRGSMSENLYFQGMPEQHPPITETTTGAASNGCPVVGHMKYPVEGGGNQDWWPNRLNLKVLHQNPAVADPMGAAFDYAAEVATIDVDALTRDIEEVMTTSQPWWPADYGHYGPLFIRMAWHAAGTYRIHDGRGGAGGGMQRFAPLNSWPDNASLDKARRLLWPVKKKYGKKLSWADLIVFAGNCALESMGFKTFGFGFGRVDQWEPDEVYWGKEATWLGDERYSGKRDLENPLAAVQMGLIYVNPEGPNGNPDPMAAAVDIRETFRRMAMNDVETAALIVGGHTFGKTHGAGPADLVGPEPEAAPLEQMGLGWKSSYGTGTGKDAITGGIEVVWTNTPTKWDNSFLEILYGYEWELTKSPAGAWQYTAKDGAGAGTIPDPFGGPGRSPTMLATDLSLRVDPIYERITRRWLEHPEELADEFAKAWYKLIHRDMGPVARYLGPLVPKQTLLWQDPVPAVSHDLVGEAEIASLKSQIRASGLTVSQLVSTAWAAASSFRGSDKRGGANGGRIRLQPQVGWEVNDPDGDLRKVIRTLEEIQESFNSAAPGNIKVSFADLVVLGGCAAIEKAAKAAGHNITVPFTPGRTDASQEQTDVESFAVLEPKADGFRNYLGKGNPLPAEYMLLDKANLLTLSAPEMTVLVGGLRVLGANYKRLPLGVFTEASESLTNDFFVNLLDMGITWEPSPADDGTYQGKDGSGKVKWTGSRVDLVFGSNSELRALVEVYGADDAQPKFVQDFVAAWDKVMNLDRFDVR

Source

organism	Mycobacterium tuberculosis
ncbi_taxonomy_id	1773
host_organism	Escherichia coli BL21

Entity 2 non-polymer

description	PROTOPORPHYRIN IX CONTAINING FE
formula_weight	616.5 kDa
src_method	syn
entity_count	1

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6. Citations (1)

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length_a	1.000 Å
length_b	1.000 Å
length_c	1.000 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	—

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	2.84 Å
resolution_method	—
num_particles	266376

fit	/app/data/saxs_computation/sg/9sgt/9sgt.fit
pddf	/app/data/pr_computation/sg/9sgt/9sgt.pr.out
profile	/app/data/saxs_computation/sg/9sgt/9sgt.dat

S315G KatG mutant one Heme

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

EM 3D

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Source

Entity 2 non-polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)