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1ahv

STRUCTURE OF THE OCTAMERIC FLAVOENZYME VANILLYL-ALCOHOL OXIDASE IN COMPLEX WITH 2-NITRO-P-CRESOL

Method: X-RAY DIFFRACTION D_max: 95.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ahv
deposition_date	1997-04-10
title	STRUCTURE OF THE OCTAMERIC FLAVOENZYME VANILLYL-ALCOHOL OXIDASE IN COMPLEX WITH 2-NITRO-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	30.63 Å
rg_electron	29.79 Å
i0	243645000.00
molecular_weight	126430.0 kDa
excluded_volume	158610 Å³
envelope_volume	183700 Å³
shell_volume	48943 Å³
envelope_diameter	100.9 Å
shell_rg	39.00 Å
envelope_rg	30.02 Å
shape_rg	29.77 Å
total_rg	30.55 Å
total_atoms	8910
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	95.4 Å
rg_real	30.48 Å
rg_real_error	0.59 Å
i0_real	2.4360e+08
i0_real_error	3.6800e+06
rg_reciprocal	30.55 Å
i0_reciprocal	243700000.0000
total_estimate	0.8954
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	38.5 Å
skewness	0.220
kurtosis	-0.413
angular_range	— – 0.2600 Å⁻¹
current_alpha	0.0000
highest_alpha	129500000.0000
n_real_points	53
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.912; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.909

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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	8910

MSKTQEFRPLTLPPKLSLSDFNEFIQDIIRIVGSENVEVISSKDQIVDGSYMKPTHTHDPHHVMDQDYFLASAIVAPRNVADVQSIVGLANKFSFPLWPISIGRNSGYGGAAPRVSGSVVLDMGKNMNRVLEVNVEGAYCVVEPGVTYHDLHNYLEANNLRDKLWLDVPDLGGGSVLGNAVERGVGYTPYGDHWMMHSGMEVVLANGELLRTGMGALPDPKRPETMGLKPEDQPWSKIAHLFPYGFGPYIDGLFSQSNMGIVTKIGIWLMPNPRGYQSYLITLPKDGDLKQAVDIIRPLRLGMALQNVPTIRHILLDAAVLGDKRSYSSRTEPLSDEELDKIAKQLNLGRWNFYGALYGPEPIRRVLWETIKDAFSAIPGVKFYFPEDTPENSVLRVRDKTMQGIPTYDELKWIDWLPNGAHLFFSPIAKVSGEDAMMQYAVTKKRCQEAGLDFIGTFTVGMREMHHIVCIVFNKKDLIQKRKVQWLMRTLIDDCAANGWGEYRTHLAFMDQIMETYNWNNSSFLRFNEVLKNAVDPNGIIAPGKSGVWPSQYSHVTWKL

Entity 2 non-polymer

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

Entity 3 non-polymer

description	2-NITRO-P-CRESOL
formula_weight	153.1 kDa
src_method	syn
entity_count	2

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6. Citations (1)

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length_a	140.620 Å
length_b	140.620 Å
length_c	132.510 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	3.100 Å
resolution_low	30.000 Å
r_factor	0.2060
r_work	0.2050
r_free	0.2400

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

STRUCTURE OF THE OCTAMERIC FLAVOENZYME VANILLYL-ALCOHOL OXIDASE IN COMPLEX WITH 2-NITRO-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 non-polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)