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1d4e

CRYSTAL STRUCTURE OF THE FLAVOCYTOCHROME C FUMARATE REDUCTASE OF SHEWANELLA PUTREFACIENS STRAIN MR-1 COMPLEXED WITH FUMARATE

Method: X-RAY DIFFRACTION D_max: 91.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1d4e
deposition_date	1999-10-03
title	CRYSTAL STRUCTURE OF THE FLAVOCYTOCHROME C FUMARATE REDUCTASE OF SHEWANELLA PUTREFACIENS STRAIN MR-1 COMPLEXED WITH FUMARATE
keywords	tetraheme flavocytochrome c fumarate reductase, OXIDOREDUCTASE; 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	24.65 Å
rg_electron	23.85 Å
i0	62930100.00
molecular_weight	59751.0 kDa
excluded_volume	73699 Å³
envelope_volume	84562 Å³
shell_volume	29314 Å³
envelope_diameter	83.4 Å
shell_rg	31.49 Å
envelope_rg	24.00 Å
shape_rg	23.87 Å
total_rg	24.61 Å
total_atoms	4198
n_residues	560
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	91.8 Å
rg_real	24.58 Å
rg_real_error	0.84 Å
i0_real	6.2930e+07
i0_real_error	9.8110e+05
rg_reciprocal	24.60 Å
i0_reciprocal	62930000.0000
total_estimate	0.7520
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	29.1 Å
skewness	0.289
kurtosis	-0.381
angular_range	— – 0.3200 Å⁻¹
current_alpha	0.0000
highest_alpha	18060000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.631; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.878; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	FLAVOCYTOCHROME C FUMARATE REDUCTASE
formula_weight	59987.8 kDa
ec_number	1.3.99.1
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4254

AAPEVLADFHGEMGGCDSCHVSDKGGVTNDNLTHENGQCVSCHGDLKELAAAAPKDKVSPHKSHLIGEIACTSCHKGHEKSVAYCDACHSFGFDMPFGGKWERKFVPVDADKAAQDKAIAAGVKETTDVVIIGSGGAGLAAAVSARDAGAKVILLEKEPIPGGNTKLAAGGMNAAETKPQAKLGIEDKKQIMIDDTMKGGRNINDPELVKVLANNSSDSIDWLTSMGADMTDVGRMGGASVNRSHRPTGGAGVGAHVAQVLWDNAVKRGTDIRLNSRVVRILEDASGKVTGVLVKGEYTGYYVIKADAVVIAAGGFAKNNERVSKYDPKLKGFKATNHPGATGDGLDVALQAGAATRDLQYIQAHPTYSPAGGVMITEAVRGNGAIVVNREGNRFMNEITTRDKASAAILQQKGESAYLVFDDSIRKSLKAIEGYVHLNIVKEGKTIEELAKQIDVPAAELAKTVTAYNGFVKSGKDAQFERPDLPRELVVAPFYALEIAPAVHHTMGGLVIDTKAEVKSEKTAKPITGLYAAGEVTGGVHGANRLGGNAISDIVTYGRIAGASAAKFAKDN

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 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	56

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6. Citations (1)

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length_a	73.080 Å
length_b	73.080 Å
length_c	216.200 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

resolution	2.800 Å
resolution_low	10.000 Å
r_factor	—
r_work	0.2430
r_free	0.3110

fit	/app/data/saxs_computation/d4/1d4e/1d4e.fit
pddf	/app/data/pr_computation/d4/1d4e/1d4e.pr.out
profile	/app/data/saxs_computation/d4/1d4e/1d4e.dat

CRYSTAL STRUCTURE OF THE FLAVOCYTOCHROME C FUMARATE REDUCTASE OF SHEWANELLA PUTREFACIENS STRAIN MR-1 COMPLEXED WITH FUMARATE

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