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1e0y

Structure of the D170S/T457E double mutant of vanillyl-alcohol oxidase

Method: X-RAY DIFFRACTION D_max: 94.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e0y
deposition_date	2000-04-11
title	Structure of the D170S/T457E double mutant of vanillyl-alcohol oxidase
keywords	FLAVOENZYME, SPECIFICITY; 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	30.28 Å
rg_electron	29.38 Å
i0	232301000.00
molecular_weight	122980.0 kDa
excluded_volume	154070 Å³
envelope_volume	178260 Å³
shell_volume	48135 Å³
envelope_diameter	99.8 Å
shell_rg	38.61 Å
envelope_rg	29.56 Å
shape_rg	29.38 Å
total_rg	30.11 Å
total_atoms	8673
n_residues	1100
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	94.3 Å
rg_real	30.14 Å
rg_real_error	0.50 Å
i0_real	2.3230e+08
i0_real_error	3.3430e+06
rg_reciprocal	30.20 Å
i0_reciprocal	232300000.0000
total_estimate	0.8964
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	38.1 Å
skewness	0.216
kurtosis	-0.407
angular_range	— – 0.2600 Å⁻¹
current_alpha	0.0000
highest_alpha	122100000.0000
n_real_points	53
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.911; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.928

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	VANILLYL-ALCOHOL OXIDASE
formula_weight	63007.0 kDa
ec_number	1.1.3.38
mutation	YES
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	8753

MSKTQEFRPLTLPPKLSLSDFNEFIQDIIRIVGSENVEVISSKDQIVDGSYMKPTHTHDPHHVMDQDYFLASAIVAPRNVADVQSIVGLANKFSFPLWPISIGRNSGYGGAAPRVSGSVVLDMGKNMNRVLEVNVEGAYCVVEPGVTYHDLHNYLEANNLRDKLWLDVPSLGGGSVLGNAVERGVGYTPYGDHWMMHSGMEVVLANGELLRTGMGALPDPKRPETMGLKPEDQPWSKIAHLFPYGFGPYIDGLFSQSNMGIVTKIGIWLMPNPGGYQSYLITLPKDGDLKQAVDIIRPLRLGMALQNVPTIRHILLDAAVLGDKRSYSSRTEPLSDEELDKIAKQLNLGRWNFYGALYGPEPIRRVLWETIKDAFSAIPGVKFYFPEDTPENSVLRVRDKTMQGIPTYDELKWIDWLPNGAHLFFSPIAKVSGEDAMMQYAVTKKRCQEAGLDFIGEFTVGMREMHHIVCIVFNKKDLIQKRKVQWLMRTLIDDCAANGWGEYRTHLAFMDQIMETYNWNNSSFLRFNEVLKNAVDPNGIIAPGKSGVWPSQYSHVTWKL

Source

organism	PENICILLIUM SIMPLICISSIMUM
ncbi_taxonomy_id	69488
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

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

Entity 3 non-polymer

description	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL
formula_weight	162.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	80

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6. Citations (1)

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length_a	131.281 Å
length_b	131.281 Å
length_c	134.355 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	2.750 Å
resolution_low	20.000 Å
r_factor	0.2250
r_work	0.2250
r_free	0.2870

fit	/app/data/saxs_computation/e0/1e0y/1e0y.fit
pddf	/app/data/pr_computation/e0/1e0y/1e0y.pr.out
profile	/app/data/saxs_computation/e0/1e0y/1e0y.dat

Structure of the D170S/T457E double mutant of vanillyl-alcohol oxidase

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