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9udb

Crystal structure of MonCI in complex with farnesyl acetate

Method: X-RAY DIFFRACTION D_max: 98.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9udb
deposition_date	2025-04-06
title	Crystal structure of MonCI in complex with farnesyl acetate
keywords	FAD-dependent monooxygenase, epoxidation, 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	31.41 Å
rg_electron	30.65 Å
i0	177323000.00
molecular_weight	103230.0 kDa
excluded_volume	128160 Å³
envelope_volume	160830 Å³
shell_volume	42438 Å³
envelope_diameter	106.1 Å
shell_rg	38.79 Å
envelope_rg	30.58 Å
shape_rg	30.68 Å
total_rg	31.21 Å
total_atoms	7271
n_residues	941
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	98.9 Å
rg_real	31.33 Å
rg_real_error	0.65 Å
i0_real	1.7730e+08
i0_real_error	2.4860e+06
rg_reciprocal	31.37 Å
i0_reciprocal	177300000.0000
total_estimate	0.8974
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	35.6 Å
skewness	0.259
kurtosis	-0.474
angular_range	— – 0.2500 Å⁻¹
current_alpha	0.0000
highest_alpha	68930000.0000
n_real_points	51
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.933; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.866

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

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	7374

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	(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate
formula_weight	264.4 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	103

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6. Citations (1)

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length_a	67.263 Å
length_b	52.560 Å
length_c	145.128 Å
angle_alpha	90.00 °
angle_beta	92.76 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.000 Å
resolution_low	19.471 Å
r_factor	0.2209
r_work	0.2194
r_free	0.2510

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