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1d4c

CRYSTAL STRUCTURE OF THE UNCOMPLEXED FORM OF THE FLAVOCYTOCHROME C FUMARATE REDUCTASE OF SHEWANELLA PUTREFACIENS STRAIN MR-1

Method: X-RAY DIFFRACTION D_max: 173.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1d4c
deposition_date	1999-10-03
title	CRYSTAL STRUCTURE OF THE UNCOMPLEXED FORM OF THE FLAVOCYTOCHROME C FUMARATE REDUCTASE OF SHEWANELLA PUTREFACIENS STRAIN MR-1
keywords	TETRAHEME FLAVOCYTOCHROME C, 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	54.37 Å
rg_electron	54.13 Å
i0	925669000.00
molecular_weight	247140.0 kDa
excluded_volume	305740 Å³
envelope_volume	448620 Å³
shell_volume	68168 Å³
envelope_diameter	173.8 Å
shell_rg	60.02 Å
envelope_rg	51.34 Å
shape_rg	54.13 Å
total_rg	54.28 Å
total_atoms	17344
n_residues	2274
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	173.8 Å
rg_real	54.27 Å
rg_real_error	1.75 Å
i0_real	9.2570e+08
i0_real_error	2.0340e+07
rg_reciprocal	54.42 Å
i0_reciprocal	925800000.0000
total_estimate	0.8622
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	77.9 Å
skewness	0.041
kurtosis	-0.786
angular_range	— – 0.1450 Å⁻¹
current_alpha	0.0000
highest_alpha	39330000.0000
n_real_points	30
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.843; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.690

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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	59974.7 kDa
ec_number	1.3.99.1
src_method	nat
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	17470

AAPEVLADFHGEMGGCDSCHVSDKGGVTNDNLTHENGQCVSCHGDLKELAAAAPKDKVSPHKSHLIGEIACTSCHKGHEKSVAYCDACHSFGFDMPFGGKWERKFVPVDADKAAQDKAIAAGVKETTDVVIIGSGGAGLAAAVSARDAGAKVILLEKEPIPGGNTKLAAGGMNAAETKPQAKLGIEDKKQIMIDDTMKGGRNINDPELVKVLANNSSDSIDWLTSMGADMTDVGRMGGASVNRSHRPTGGAGVGAHVAQVLWDNAVKRGTDIRLNSRVVRILEDASGKVTGVLVKGEYTGYYVIKADAVVIAAGGFAKNNERVSKYDPKLKGFKATNHPGATGDGLDVALQAGAATRDLEYIQAHPTYSPAGGVMITEAVRGNGAIVVNREGNRFMNEITTRDKASAAILQQKGESAYLVFDDSIRKSLKAIEGYVHLNIVKEGKTIEELAKQIDVPAAELAKTVTAYNGFVKSGKDAQFERPDLPRELVVAPFYALEIAPAVHHTMGGLVIDTKAEVKSEKTGKPITGLYAAGEVTGGVHGANRLGGNAISDIVTYGRIAGASAAKFAKDN

Entity 2 non-polymer

description	HEME C
formula_weight	618.5 kDa
src_method	syn
entity_count	16

Entity 3 non-polymer

description	FLAVIN-ADENINE DINUCLEOTIDE
formula_weight	785.5 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	3

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	126

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6. Citations (1)

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length_a	109.690 Å
length_b	216.360 Å
length_c	112.040 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	2.900 Å
resolution_low	15.000 Å
r_factor	—
r_work	0.2100
r_free	0.3000

fit	/app/data/saxs_computation/d4/1d4c/1d4c.fit
pddf	/app/data/pr_computation/d4/1d4c/1d4c.pr.out
profile	/app/data/saxs_computation/d4/1d4c/1d4c.dat

CRYSTAL STRUCTURE OF THE UNCOMPLEXED FORM OF THE FLAVOCYTOCHROME C FUMARATE REDUCTASE OF SHEWANELLA PUTREFACIENS STRAIN MR-1

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