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1cc2

CHOLESTEROL OXIDASE FROM STREPTOMYCES HIS447GLN MUTANT

Method: X-RAY DIFFRACTION D_max: 76.4 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cc2
deposition_date	1999-03-03
title	CHOLESTEROL OXIDASE FROM STREPTOMYCES HIS447GLN MUTANT
keywords	FLAVOENZYME, STEROID METABOLISM, 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	23.00 Å
rg_electron	21.98 Å
i0	51265300.00
molecular_weight	55069.0 kDa
excluded_volume	68549 Å³
envelope_volume	78109 Å³
shell_volume	28640 Å³
envelope_diameter	80.4 Å
shell_rg	29.84 Å
envelope_rg	22.18 Å
shape_rg	21.98 Å
total_rg	22.82 Å
total_atoms	3881
n_residues	498
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	76.4 Å
rg_real	22.87 Å
rg_real_error	0.42 Å
i0_real	5.1270e+07
i0_real_error	7.3040e+05
rg_reciprocal	22.90 Å
i0_reciprocal	51270000.0000
total_estimate	0.6835
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	29.4 Å
skewness	0.206
kurtosis	-0.333
angular_range	— – 0.3450 Å⁻¹
current_alpha	0.0000
highest_alpha	13650000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.794; Stabil: 1.000; Sysdev: 0.171; Positv: 1.000; Valcen: 0.997; Smooth: 0.987

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PROTEIN (CHOLESTEROL OXIDASE)
formula_weight	54959.7 kDa
ec_number	1.1.3.6
mutation	H447Q
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4397

DNGGYVPAVVIGTGYGAAVSALRLGEAGVQTLMLEMGQLWNQPGPDGNIFCGMLNPDKRSSWFKNRTEAPLGSFLWLDVVNRNIDPYAGVLDRVNYDQMSVYVGRGVGGGSLVNGGMAVEPKRSYFEEILPRVDSSEMYDRYFPRANSMLRVNHIDTKWFEDTEWYKFARVSREQAGKAGLGTVFVPNVYDFGYMQREAAGEVPKSALATEVIYGNNHGKQSLDKTYLAAALGTGKVTIQTLHQVKTIRQTKDGGYALTVEQKDTDGKLLATKEISCRYLFLGAGSLGSTELLVRARDTGTLPNLNSEVGAGWGPNGNIMTARANHMWNPTGAHQSSIPALGIDAWDNSDSSVFAEIAPMPAGLETWVSLYLAITKNPQRGTFVYDAATDRAKLNWTRDQNAPAVNAAKALFDRINKANGTIYRYDLFGTQLKAFADDFCYQPLGGCVLGKATDDYGRVAGYKNLYVTDGSLIPGSVGVNPFVTITALAERNVERIIKQDVTAS

Source

organism	Streptomyces sp.
ncbi_taxonomy_id	1931
host_organism	Escherichia coli

Entity 2 non-polymer

description	FLAVIN-ADENINE DINUCLEOTIDE
formula_weight	785.5 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	507

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6. Citations (1)

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length_a	51.590 Å
length_b	74.050 Å
length_c	63.800 Å
angle_alpha	90.00 °
angle_beta	105.11 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.200 Å
resolution_low	6.000 Å
r_factor	—
r_work	0.1470
r_free	0.2350

fit	/app/data/saxs_computation/cc/1cc2/1cc2.fit
pddf	/app/data/pr_computation/cc/1cc2/1cc2.pr.out
profile	/app/data/saxs_computation/cc/1cc2/1cc2.dat

CHOLESTEROL OXIDASE FROM STREPTOMYCES HIS447GLN MUTANT

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