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1e8g

STRUCTURE OF THE H61T DOUBLE MUTANT OF VANILLYL-ALCOHOL OXIDASE IN COMPLEX WITH FLUORO-CRESOL

Method: X-RAY DIFFRACTION D_max: 94.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e8g
deposition_date	2000-09-20
title	STRUCTURE OF THE H61T DOUBLE MUTANT OF VANILLYL-ALCOHOL OXIDASE IN COMPLEX WITH FLUORO-CRESOL
keywords	OXIDOREDUCTASE, FLAVOENZYME, SPECIFICITY; 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	29.56 Å
i0	238968000.00
molecular_weight	125240.0 kDa
excluded_volume	157170 Å³
envelope_volume	180780 Å³
shell_volume	48506 Å³
envelope_diameter	99.1 Å
shell_rg	38.75 Å
envelope_rg	29.78 Å
shape_rg	29.55 Å
total_rg	30.33 Å
total_atoms	8824
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	94.1 Å
rg_real	30.26 Å
rg_real_error	0.50 Å
i0_real	2.3900e+08
i0_real_error	3.5340e+06
rg_reciprocal	30.33 Å
i0_reciprocal	239000000.0000
total_estimate	0.8974
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	38.0 Å
skewness	0.215
kurtosis	-0.414
angular_range	— – 0.2600 Å⁻¹
current_alpha	0.0000
highest_alpha	128100000.0000
n_real_points	53
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.919; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.917

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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	62969.9 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	9209

MSKTQEFRPLTLPPKLSLSDFNEFIQDIIRIVGSENVEVISSKDQIVDGSYMKPTHTHDPTHVMDQDYFLASAIVAPRNVADVQSIVGLANKFSFPLWPISIGRNSGYGGAAPRVSGSVVLDMGKNMNRVLEVNVEGAYCVVEPGVTYHDLHNYLEANNLRDKLWLDVPDLGGGSVLGNAVERGVGYTPYGDHWMMHSGMEVVLANGELLRTGMGALPDPKRPETMGLKPEDQPWSKIAHLFPYGFGPYIDGLFSQSNMGIVTKIGIWLMPNPGGYQSYLITLPKDGDLKQAVDIIRPLRLGMALQNVPTIRHILLDAAVLGDKRSYSSRTEPLSDEELDKIAKQLNLGRWNFYGALYGPEPIRRVLWETIKDAFSAIPGVKFYFPEDTPENSVLRVRDKTMQGIPTYDELKWIDWLPNGAHLFFSPIAKVSGEDAMMQYAVTKKRCQEAGLDFIGTFTVGMREMHHIVCIVFNKKDLIQKRKVQWLMRTLIDDCAANGWGEYRTHLAFMDQIMETYNWNNSSFLRFNEVLKNAVDPNGIIAPGKSGVWPSQYSHVTWKL

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	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	385

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6. Citations (1)

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length_a	130.288 Å
length_b	130.288 Å
length_c	132.543 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	2.100 Å
resolution_low	15.000 Å
r_factor	0.2180
r_work	0.2180
r_free	0.2580

fit	/app/data/saxs_computation/e8/1e8g/1e8g.fit
pddf	/app/data/pr_computation/e8/1e8g/1e8g.pr.out
profile	/app/data/saxs_computation/e8/1e8g/1e8g.dat

STRUCTURE OF THE H61T DOUBLE MUTANT OF VANILLYL-ALCOHOL OXIDASE IN COMPLEX WITH FLUORO-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