SAXSdb — 1e5v

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1. Structure Basics

entry_id	1e5v
deposition_date	2000-08-03
title	OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES BUFFER
keywords	OXIDOREDUCTASE, REDUCTASE, DMSO, MOLYBDOPTERIN; 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	40.50 Å
rg_electron	40.38 Å
i0	448184000.00
molecular_weight	170220.0 kDa
excluded_volume	211160 Å³
envelope_volume	271550 Å³
shell_volume	55895 Å³
envelope_diameter	129.9 Å
shell_rg	46.56 Å
envelope_rg	39.21 Å
shape_rg	40.38 Å
total_rg	40.69 Å
total_atoms	11972
n_residues	1532
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	131.6 Å
rg_real	40.53 Å
rg_real_error	1.06 Å
i0_real	4.4820e+08
i0_real_error	8.2090e+06
rg_reciprocal	40.50 Å
i0_reciprocal	448200000.0000
total_estimate	0.8801
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	37.1 Å
skewness	0.257
kurtosis	-0.755
angular_range	— – 0.1950 Å⁻¹
current_alpha	0.0000
highest_alpha	102800000.0000
n_real_points	40
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.879; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.916; Smooth: 0.883

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Dimethyl sulfoxide/trimethylamine N-oxide reductase
formula_weight	89524.9 kDa
ec_number	1.7.2.3,1.8.5.3
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,C
atom_count	12440

MTKFSGNELRAELYRRAFLSYSVAPGALGMFGRSLLAKGARAEALANGTVMSGSHWGVFTATVENGRATAFTPWEKDPHPSPMLAGVLDSIYSPTRIKYPMVRREFLEKGVNADRSTRGNGDFVRVSWDQALDLVAAEVKRVEETYGPEGVFGGSYGWKSPGRLHNCTTLLRRMLTLAGGYVNGAGDYSTGAAQVIMPHVVGTLEVYEQQTAWPVLAENTEVMVFWAADPIKTSQIGWVIPEHGAYPGLEALKAKGTKVIVIDPVRTKTVEFFGAEHITPKPQTDVAIMLGMAHTLVAEDLYDKDFIANYTSGFDKFLPYLDGETDSTPKTAEWAEGISGVPAETIKELARLFESKRTMLAAGWSMQRMHHGEQAHWMLVTLASMLGQIGLPGGGFGLSYHYSGGGTPSTSGPALAGITDGGAATKGPEWLAASGASVIPVARVVDMLENPGAEFDFNGTRSKFPDVKMAYWVGGNPFVHHQDRNRMVKAWEKLETFVVHDFQWTPTARHADIVLPATTSYERNDIETIGDYSNTGILAMKKIVEPLYEARSDYDIFAAVAERLGKGAEFTEGKDEMGWIKSFYDDAAKQGKAAGVQMPAFDAFWAEGIVEFPVTDGADFVRYASFREDPLLNPLGTPTGLIEIYSKNIEKMGYDDCPAHPTWMEPLERLDGPGAKYPLHIAASHPFNRLHSQLNGTVLREGYAVQGHEPCLMHPDDAAARGIADGDVVRVHNDRGQILTGVKVTDAVMKGVIQIYEGGWYDPSDVTEPGTLDKYGDVNVLSADIGTSKLAQGNCGQTVLAEVEKYTGPAVTLTGFVAPKAAE

Entity 2 non-polymer

description	2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
formula_weight	738.5 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	MOLYBDENUM (IV)OXIDE
formula_weight	127.9 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	468

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6. Citations (1)

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length_a	70.352 Å
length_b	117.181 Å
length_c	233.418 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.400 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.1710
r_free	0.2230

fit	/app/data/saxs_computation/e5/1e5v/1e5v.fit
pddf	/app/data/pr_computation/e5/1e5v/1e5v.pr.out
profile	/app/data/saxs_computation/e5/1e5v/1e5v.dat

OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES BUFFER

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