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1bwk

OLD YELLOW ENZYME (OYE1) MUTANT H191N

Method: X-RAY DIFFRACTION D_max: 68.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bwk
deposition_date	1998-09-24
title	OLD YELLOW ENZYME (OYE1) MUTANT H191N
keywords	FLAVOENZYME, NADPH OXIDOREDUCTASE, TIM BARREL, 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	21.40 Å
rg_electron	20.27 Å
i0	34128100.00
molecular_weight	45269.0 kDa
excluded_volume	56581 Å³
envelope_volume	62745 Å³
shell_volume	25049 Å³
envelope_diameter	70.0 Å
shell_rg	27.72 Å
envelope_rg	20.49 Å
shape_rg	20.24 Å
total_rg	21.22 Å
total_atoms	3204
n_residues	399
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	68.4 Å
rg_real	21.25 Å
rg_real_error	0.35 Å
i0_real	3.4130e+07
i0_real_error	4.2560e+05
rg_reciprocal	21.28 Å
i0_reciprocal	34130000.0000
total_estimate	0.8882
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.2 Å
skewness	0.159
kurtosis	-0.371
angular_range	— – 0.3700 Å⁻¹
current_alpha	0.0000
highest_alpha	6927000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.855; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.985

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PROTEIN (NADPH DEHYDROGENASE 1)
formula_weight	44874.3 kDa
ec_number	1.6.99.1
mutation	H191N
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3331

SFVKDFKPQALGDTNLFKPIKIGNNELLHRAVIPPLTRMRALHPGNIPNRDWAVEYYTQRAQRPGTMIITEGAFISPQAGGYDNAPGVWSEEQMVEWTKIFNAIHEKKSFVWVQLWVLGWAAFPDNLARDGLRYDSASDNVFMDAEQEAKAKKANNPQHSLTKDEIKQYIKEYVQAAKNSIAAGADGVEINSANGYLLNQFLDPHSNTRTDEYGGSIENRARFTLEVVDALVEAIGHEKVGLRLSPYGVFNSMSGGAETGIVAQYAYVAGELEKRAKAGKRLAFVHLVEPRVTNPFLTEGEGEYEGGSNDFVYSIWKGPVIRAGNFALHPEVVREEVKDKRTLIGYGRFFISNPDLVDRLEKGLPLNKYDRDTFYQMSAHGYIDYPTYEEALKLGWDKS

Source

organism	Candida albicans
ncbi_taxonomy_id	5476
host_organism	Escherichia coli

Entity 2 non-polymer

description	FLAVIN MONONUCLEOTIDE
formula_weight	456.3 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	127

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6. Citations (1)

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length_a	143.300 Å
length_b	143.300 Å
length_c	43.000 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

resolution	2.300 Å
resolution_low	8.000 Å
r_factor	0.1800
r_work	0.1800
r_free	0.2540

fit	/app/data/saxs_computation/bw/1bwk/1bwk.fit
pddf	/app/data/pr_computation/bw/1bwk/1bwk.pr.out
profile	/app/data/saxs_computation/bw/1bwk/1bwk.dat

OLD YELLOW ENZYME (OYE1) MUTANT H191N

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