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1c0i

CRYSTAL STRUCTURE OF D-AMINO ACID OXIDASE IN COMPLEX WITH TWO ANTHRANYLATE MOLECULES

Method: X-RAY DIFFRACTION D_max: 78.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1c0i
deposition_date	1999-07-16
title	CRYSTAL STRUCTURE OF D-AMINO ACID OXIDASE IN COMPLEX WITH TWO ANTHRANYLATE MOLECULES
keywords	FLAVIN CONTAINING PROTEIN, ALPHA-BETA-ALPHA MOTIF, 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	22.21 Å
rg_electron	21.38 Å
i0	29231100.00
molecular_weight	40610.0 kDa
excluded_volume	50479 Å³
envelope_volume	58309 Å³
shell_volume	22960 Å³
envelope_diameter	80.7 Å
shell_rg	28.15 Å
envelope_rg	22.12 Å
shape_rg	21.33 Å
total_rg	22.35 Å
total_atoms	2860
n_residues	363
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	78.1 Å
rg_real	22.26 Å
rg_real_error	0.62 Å
i0_real	2.9230e+07
i0_real_error	4.3860e+05
rg_reciprocal	22.25 Å
i0_reciprocal	29230000.0000
total_estimate	0.8406
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.6 Å
skewness	0.490
kurtosis	-0.057
angular_range	— – 0.3600 Å⁻¹
current_alpha	0.0000
highest_alpha	9779000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.685; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.912; Smooth: 0.957

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	D-AMINO ACID OXIDASE
formula_weight	39614.9 kDa
ec_number	1.4.3.3
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3232

LMMHSQKRVVVLGSGVIGLSSALILARKGYSVHILARDLPEDVSSQTFASPWAGANWTPFMTLTDGPRQAKWEESTFKKWVELVPTGHAMWLKGTRRFAQNEDGLLGHWYKDITPNYRPLPSSECPPGAIGVTYDTLSVHAPKYCQYLARELQKLGATFERRTVTSLEQAFDGADLVVNATGLGAKSIAGIDDQAAEPIRGQTVLVKSPCKRCTMDSSDPASPAYIIPRPGGEVICGGTYGVGDWDLSVNPETVQRILKHCLRLDPTISSDGTIEGIEVLRHNVGLRPARRGGPRVEAERIVLPLDRTKSPLSLGRGSARAAKEKEVTLVHAYGFSSAGYQQSWGAAEDVAQLVDEAFQRYHG

Source

organism	Rhodosporidium toruloides
ncbi_taxonomy_id	5286
host_organism	Escherichia coli

Entity 2 non-polymer

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

Entity 3 non-polymer

description	2-AMINOBENZOIC ACID
formula_weight	137.1 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	372

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6. Citations (1)

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length_a	120.830 Å
length_b	120.830 Å
length_c	136.806 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	I 4 2 2
int_tables_number	97
crystal_system	—

resolution	1.900 Å
resolution_low	50.000 Å
r_factor	0.1990
r_work	0.1990
r_free	0.2490

fit	/app/data/saxs_computation/c0/1c0i/1c0i.fit
pddf	/app/data/pr_computation/c0/1c0i/1c0i.pr.out
profile	/app/data/saxs_computation/c0/1c0i/1c0i.dat

CRYSTAL STRUCTURE OF D-AMINO ACID OXIDASE IN COMPLEX WITH TWO ANTHRANYLATE MOLECULES

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