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1e39

Flavocytochrome C3 from Shewanella frigidimarina histidine 365 mutated to alanine

Method: X-RAY DIFFRACTION D_max: 80.5 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e39
deposition_date	2000-06-07
title	Flavocytochrome C3 from Shewanella frigidimarina histidine 365 mutated to alanine
keywords	FUMARATE REDUCTASE MUTANT H365A, OXIDOREDUCTASE, RESPIRATORY FUMARATE REDUCTASE; OXIDOREDUCTASE
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	25.18 Å
rg_electron	24.37 Å
i0	70019300.00
molecular_weight	63576.0 kDa
excluded_volume	78703 Å³
envelope_volume	91259 Å³
shell_volume	30802 Å³
envelope_diameter	83.2 Å
shell_rg	32.18 Å
envelope_rg	24.57 Å
shape_rg	24.37 Å
total_rg	25.15 Å
total_atoms	4452
n_residues	568
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	80.5 Å
rg_real	25.12 Å
rg_real_error	0.50 Å
i0_real	7.0020e+07
i0_real_error	9.4680e+05
rg_reciprocal	25.14 Å
i0_reciprocal	70020000.0000
total_estimate	0.6943
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	29.4 Å
skewness	0.291
kurtosis	-0.376
angular_range	— – 0.3150 Å⁻¹
current_alpha	0.0000
highest_alpha	17700000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.899; Stabil: 1.000; Sysdev: 0.120; Positv: 1.000; Valcen: 0.998; Smooth: 0.964

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4. Crystallography & Experiment

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5. Entities & Polymer Info (7)

Entity 1 polymer

description	FUMARATE REDUCTASE FLAVOPROTEIN SUBUNIT
formula_weight	60560.2 kDa
ec_number	1.3.99.1
mutation	YES
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5057

ADNLAEFHVQNQECDSCHTPDGELSNDSLTYENTQCVSCHGTLAEVAETTKHEHYNAHASHFPGEVACTSCHSAHEKSMVYCDSCHSFDFNMPYAKKWLRDEPTIAELAKDKSERQAALASAPHDTVDVVVVGSGGAGFSAAISATDSGAKVILIEKEPVIGGNAKLAAGGMNAAWTDQQKAKKITDSPELMFEDTMKGGQNINDPALVKVLSSHSKDSVDWMTAMGADLTDVGMMGGASVNRAHRPTGGAGVGAHVVQVLYDNAVKRNIDLRMNTRGIEVLKDDKGTVKGILVKGMYKGYYWVKADAVILATGGFAKNNERVAKLDPSLKGFISTNQPGAVGDGLDVAENAGGALKDMQYIQAAPTLSVKGGVMVTEAVRGNGAILVNREGKRFVNEITTRDKASAAILAQTGKSAYLIFDDSVRKSLSKIDKYIGLGVAPTADSLVKLGKMEGIDGKALTETVARYNSLVSSGKDTDFERPNLPRALNEGNYYAIEVTPGVHHTMGGVMIDTKAEVMNAKKQVIPGLYGAGEVTGGVHGANRLGGNAISDIITFGRLAGEEAAKYSKKN

Source

organism	SHEWANELLA FRIGIDIMARINA
ncbi_taxonomy_id	56812
host_organism	SHEWANELLA FRIGIDIMARINA

Entity 2 non-polymer

description	HEME C
formula_weight	618.5 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	FLAVIN-ADENINE DINUCLEOTIDE
formula_weight	785.5 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	FUMARIC ACID
formula_weight	116.1 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	1

Entity 6 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	1

Entity 7 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	605

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6. Citations (1)

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length_a	45.571 Å
length_b	92.172 Å
length_c	78.489 Å
angle_alpha	90.00 °
angle_beta	91.08 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.800 Å
resolution_low	18.000 Å
r_factor	0.1814
r_work	—
r_free	0.2470

fit	/app/data/saxs_computation/e3/1e39/1e39.fit
pddf	/app/data/pr_computation/e3/1e39/1e39.pr.out
profile	/app/data/saxs_computation/e3/1e39/1e39.dat