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1ahu

STRUCTURE OF THE OCTAMERIC FLAVOENZYME VANILLYL-ALCOHOL OXIDASE IN COMPLEX WITH P-CRESOL

Method: X-RAY DIFFRACTION D_max: 94.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ahu
deposition_date	1997-04-10
title	STRUCTURE OF THE OCTAMERIC FLAVOENZYME VANILLYL-ALCOHOL OXIDASE IN COMPLEX WITH P-CRESOL
keywords	FLAVOENZYME, OXIDASE, CATALYSIS; FLAVOENZYME
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	30.38 Å
rg_electron	29.54 Å
i0	242461000.00
molecular_weight	126340.0 kDa
excluded_volume	158560 Å³
envelope_volume	178510 Å³
shell_volume	48020 Å³
envelope_diameter	99.4 Å
shell_rg	38.69 Å
envelope_rg	29.79 Å
shape_rg	29.52 Å
total_rg	30.30 Å
total_atoms	8904
n_residues	1110
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	94.0 Å
rg_real	30.24 Å
rg_real_error	0.41 Å
i0_real	2.4250e+08
i0_real_error	3.5060e+06
rg_reciprocal	30.30 Å
i0_reciprocal	242500000.0000
total_estimate	0.8976
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	38.0 Å
skewness	0.221
kurtosis	-0.410
angular_range	— – 0.2600 Å⁻¹
current_alpha	0.0000
highest_alpha	118100000.0000
n_real_points	53
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.920; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.915

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	VANILLYL-ALCOHOL OXIDASE
formula_weight	63107.1 kDa
ec_number	1.1.3.13
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	9011

MSKTQEFRPLTLPPKLSLSDFNEFIQDIIRIVGSENVEVISSKDQIVDGSYMKPTHTHDPHHVMDQDYFLASAIVAPRNVADVQSIVGLANKFSFPLWPISIGRNSGYGGAAPRVSGSVVLDMGKNMNRVLEVNVEGAYCVVEPGVTYHDLHNYLEANNLRDKLWLDVPDLGGGSVLGNAVERGVGYTPYGDHWMMHSGMEVVLANGELLRTGMGALPDPKRPETMGLKPEDQPWSKIAHLFPYGFGPYIDGLFSQSNMGIVTKIGIWLMPNPRGYQSYLITLPKDGDLKQAVDIIRPLRLGMALQNVPTIRHILLDAAVLGDKRSYSSRTEPLSDEELDKIAKQLNLGRWNFYGALYGPEPIRRVLWETIKDAFSAIPGVKFYFPEDTPENSVLRVRDKTMQGIPTYDELKWIDWLPNGAHLFFSPIAKVSGEDAMMQYAVTKKRCQEAGLDFIGTFTVGMREMHHIVCIVFNKKDLIQKRKVQWLMRTLIDDCAANGWGEYRTHLAFMDQIMETYNWNNSSFLRFNEVLKNAVDPNGIIAPGKSGVWPSQYSHVTWKL

Entity 2 non-polymer

description	N5-(4-HYDROXYBENZYL)FLAVIN-ADENINE DINUCLEOTIDE
formula_weight	891.7 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	107

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6. Citations (1)

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length_a	128.820 Å
length_b	128.820 Å
length_c	130.790 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	I 4
int_tables_number	79
crystal_system	—

resolution	2.700 Å
resolution_low	30.000 Å
r_factor	0.2220
r_work	0.2210
r_free	0.2900

fit	/app/data/saxs_computation/ah/1ahu/1ahu.fit
pddf	/app/data/pr_computation/ah/1ahu/1ahu.pr.out
profile	/app/data/saxs_computation/ah/1ahu/1ahu.dat

STRUCTURE OF THE OCTAMERIC FLAVOENZYME VANILLYL-ALCOHOL OXIDASE IN COMPLEX WITH P-CRESOL

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

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Entity 2 non-polymer

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)