S315R KatG mutant one Heme

Method: ELECTRON MICROSCOPY D_max: 110.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9sgq
deposition_date	2025-08-22
title	S315R KatG mutant one Heme
keywords	Catalase, Peoxidase, Enzyme, Heme, METAL BINDING PROTEIN; METAL BINDING PROTEIN
method	ELECTRON MICROSCOPY

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	34.95 Å
rg_electron	34.19 Å
i0	283020000.00
molecular_weight	135750.0 kDa
excluded_volume	169700 Å³
envelope_volume	213010 Å³
shell_volume	50979 Å³
envelope_diameter	114.4 Å
shell_rg	41.70 Å
envelope_rg	33.85 Å
shape_rg	34.19 Å
total_rg	34.72 Å
total_atoms	9593
n_residues	1258
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

▼

3. P(r) Analysis (GNOM)

dmax	110.0 Å
rg_real	34.83 Å
rg_real_error	0.66 Å
i0_real	2.8300e+08
i0_real_error	4.4400e+06
rg_reciprocal	34.91 Å
i0_reciprocal	283000000.0000
total_estimate	0.9011
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	41.6 Å
skewness	0.180
kurtosis	-0.553
angular_range	— – 0.2250 Å⁻¹
current_alpha	0.0000
highest_alpha	96890000.0000
n_real_points	46
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.941; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.890

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (2)

Entity 1 polymer

description	Catalase-peroxidase
formula_weight	84139.4 kDa
ec_number	1.11.1.21
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,A
atom_count	9608

HHHHHHNTSGSGGGGGRLBPRGSMSENLYFQGMPEQHPPITETTTGAASNGCPVVGHMKYPVEGGGNQDWWPNRLNLKVLHQNPAVADPMGAAFDYAAEVATIDVDALTRDIEEVMTTSQPWWPADYGHYGPLFIRMAWHAAGTYRIHDGRGGAGGGMQRFAPLNSWPDNASLDKARRLLWPVKKKYGKKLSWADLIVFAGNCALESMGFKTFGFGFGRVDQWEPDEVYWGKEATWLGDERYSGKRDLENPLAAVQMGLIYVNPEGPNGNPDPMAAAVDIRETFRRMAMNDVETAALIVGGHTFGKTHGAGPADLVGPEPEAAPLEQMGLGWKSSYGTGTGKDAITRGIEVVWTNTPTKWDNSFLEILYGYEWELTKSPAGAWQYTAKDGAGAGTIPDPFGGPGRSPTMLATDLSLRVDPIYERITRRWLEHPEELADEFAKAWYKLIHRDMGPVARYLGPLVPKQTLLWQDPVPAVSHDLVGEAEIASLKSQIRASGLTVSQLVSTAWAAASSFRGSDKRGGANGGRIRLQPQVGWEVNDPDGDLRKVIRTLEEIQESFNSAAPGNIKVSFADLVVLGGCAAIEKAAKAAGHNITVPFTPGRTDASQEQTDVESFAVLEPKADGFRNYLGKGNPLPAEYMLLDKANLLTLSAPEMTVLVGGLRVLGANYKRLPLGVFTEASESLTNDFFVNLLDMGITWEPSPADDGTYQGKDGSGKVKWTGSRVDLVFGSNSELRALVEVYGADDAQPKFVQDFVAAWDKVMNLDRFDVR

Source

organism	Mycobacterium tuberculosis
ncbi_taxonomy_id	1773
host_organism	Escherichia coli

Entity 2 non-polymer

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

▶

6. Citations (1)

▶

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	2.76 Å
resolution_method	—
num_particles	40503

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