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9udd

Crystal structure of MonCI in complex with monoepoxidized farnesyl acetate

Method: X-RAY DIFFRACTION D_max: 97.9 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9udd
deposition_date	2025-04-06
title	Crystal structure of MonCI in complex with monoepoxidized farnesyl acetate
keywords	FAD dependent monooxygenase, epoxidase, mutant, FLAVOPROTEIN; FLAVOPROTEIN
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	31.08 Å
rg_electron	30.54 Å
i0	341351000.00
molecular_weight	96330.0 kDa
excluded_volume	91639 Å³
envelope_volume	159450 Å³
shell_volume	42325 Å³
envelope_diameter	104.7 Å
shell_rg	38.67 Å
envelope_rg	30.39 Å
shape_rg	30.55 Å
total_rg	31.00 Å
total_atoms	7299
n_residues	944
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	97.9 Å
rg_real	31.00 Å
rg_real_error	0.63 Å
i0_real	3.4140e+08
i0_real_error	4.8350e+06
rg_reciprocal	31.04 Å
i0_reciprocal	341400000.0000
total_estimate	0.9006
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	34.5 Å
skewness	0.257
kurtosis	-0.486
angular_range	— – 0.2550 Å⁻¹
current_alpha	0.0000
highest_alpha	66790000.0000
n_real_points	52
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.936; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.897

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	MonCI
formula_weight	55115.2 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	7526

MNHKVHHHHHHIEGRMTTTRPAHAVVLGASMAGTLAAHVLARHVDAVTVVERDALPEEPQHRKGVPQARHAHLLWSNGARLIEEMLPGTTDRLLAAGARRLGFPEDLVTLTGQGWQHRFPATQFALVASRPLLDLTVRQQALGADNITVRQRTEAVELTGSGGGSGGRVTGVVVRDLDSGRQEQLEADLVIDATGRGSRLKQWLAALGVPALEEDVVDAGVAYATRLFKAPPGATTHFPAVNIAADDRVREPGRFGVVYPIEGGRWLATLSCTRGAQLPTHEDEFIPFAENLNHPILADLLRDAEPLTPVFGSRSGANRRLYPERLEQWPDGLLVIGDSLTAFNPIYGHGMSSAARCATTIDREFERSVQEGTGSARAGTRALQKAIGAAVDDPWILAATKDIDYVNCRVSATDPRLIGVDTEQRLRFAEAITAASIRSPKASEIVTDVMSLNAPQAELGSNRFLMAMRADERLPELTAPPFLPEELAVVGLDAATISPTPTPTPTAAVRS

Source

organism	Streptomyces virginiae
ncbi_taxonomy_id	1961
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	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	Monoepoxidized farnesyl acetate
formula_weight	280.4 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	215

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6. Citations (1)

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length_a	66.829 Å
length_b	52.443 Å
length_c	145.511 Å
angle_alpha	90.00 °
angle_beta	92.62 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.100 Å
resolution_low	36.340 Å
r_factor	0.1980
r_work	0.1963
r_free	0.2311

fit	/app/data/saxs_computation/ud/9udd/9udd.fit
pddf	/app/data/pr_computation/ud/9udd/9udd.pr.out
profile	/app/data/saxs_computation/ud/9udd/9udd.dat