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1el9

COMPLEX OF MONOMERIC SARCOSINE OXIDASE WITH THE INHIBITOR [METHYLTHIO]ACETATE

Method: X-RAY DIFFRACTION D_max: 104.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1el9
deposition_date	2000-03-13
title	COMPLEX OF MONOMERIC SARCOSINE OXIDASE WITH THE INHIBITOR [METHYLTHIO]ACETATE
keywords	flavoprotein, oxidase, 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	30.41 Å
rg_electron	29.99 Å
i0	127942000.00
molecular_weight	87952.0 kDa
excluded_volume	108670 Å³
envelope_volume	125870 Å³
shell_volume	36091 Å³
envelope_diameter	111.5 Å
shell_rg	35.96 Å
envelope_rg	29.99 Å
shape_rg	29.98 Å
total_rg	30.50 Å
total_atoms	6151
n_residues	756
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	104.8 Å
rg_real	30.58 Å
rg_real_error	0.96 Å
i0_real	1.2790e+08
i0_real_error	2.0330e+06
rg_reciprocal	30.51 Å
i0_reciprocal	127900000.0000
total_estimate	0.8479
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	30.2 Å
skewness	0.518
kurtosis	-0.193
angular_range	— – 0.2600 Å⁻¹
current_alpha	0.0000
highest_alpha	55840000.0000
n_real_points	53
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.761; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.876; Smooth: 0.859

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	SARCOSINE OXIDE
formula_weight	43429.6 kDa
ec_number	1.5.3.1
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6725

STHFDVIVVGAGSMGMAAGYQLAKQGVKTLLVDAFDPPHTNGSHHGDTRIIRHAYGEGREYVPLALRSQELWYELEKETHHKIFTKTGVLVFGPKGESAFVAETMEAAKEHSLTVDLLEGDEINKRWPGITVPENYNAIFEPNSGVLFSENCIRAYRELAEARGAKVLTHTRVEDFDISPDSVKIETANGSYTADKLIVSMGAWNSKLLSKLNLDIPLQPYRQVVGFFESDESKYSNDIDFPGFMVEVPNGIYYGFPSFGGCGLKLGYHTFGQKIDPDTINREFGVYPEDESNLRAFLEEYMPGANGELKRGAVCMYTKTLDEHFIIDLHPEHSNVVIAAGFSGHGFKFSSGVGEVLSQLALTGKTEHDISIFSINRPALKESLQKTTI

Source

organism	Bacillus sp.
ncbi_taxonomy_id	69000
host_organism	Escherichia coli

Entity 2 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	3

Entity 3 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	FLAVIN-ADENINE DINUCLEOTIDE
formula_weight	785.5 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	[METHYLTHIO]ACETATE
formula_weight	105.1 kDa
src_method	syn
entity_count	2

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	552

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6. Citations (2)

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length_a	72.762 Å
length_b	69.587 Å
length_c	73.765 Å
angle_alpha	90.00 °
angle_beta	94.02 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.000 Å
resolution_low	500.000 Å
r_factor	0.1740
r_work	0.1740
r_free	0.2160

fit	/app/data/saxs_computation/el/1el9/1el9.fit
pddf	/app/data/pr_computation/el/1el9/1el9.pr.out
profile	/app/data/saxs_computation/el/1el9/1el9.dat