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1b58

OLIGO-PEPTIDE BINDING PROTEIN (OPPA) COMPLEXED WITH KYK

Method: X-RAY DIFFRACTION D_max: 77.3 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b58
deposition_date	1999-01-12
title	OLIGO-PEPTIDE BINDING PROTEIN (OPPA) COMPLEXED WITH KYK
keywords	COMPLEX (PEPTIDE TRANSPORT-PEPTIDE), PEPTIDE TRANSPORT, PEPTIDE BINDING PROTEIN; PEPTIDE BINDING PROTEIN
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	24.55 Å
rg_electron	23.29 Å
i0	64322100.00
molecular_weight	61144.0 kDa
excluded_volume	75043 Å³
envelope_volume	85152 Å³
shell_volume	29844 Å³
envelope_diameter	81.9 Å
shell_rg	31.13 Å
envelope_rg	23.40 Å
shape_rg	23.09 Å
total_rg	24.68 Å
total_atoms	4204
n_residues	520
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	77.3 Å
rg_real	24.43 Å
rg_real_error	0.35 Å
i0_real	6.4320e+07
i0_real_error	8.5160e+05
rg_reciprocal	24.46 Å
i0_reciprocal	64320000.0000
total_estimate	0.9008
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	29.4 Å
skewness	0.227
kurtosis	-0.393
angular_range	— – 0.3250 Å⁻¹
current_alpha	0.0001
highest_alpha	10300000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.904; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.996

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (OLIGO-PEPTIDE BINDING PROTEIN)
formula_weight	58879.0 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4543

ADVPAGVQLADKQTLVRNNGSEVQSLDPHKIEGVPESNVSRDLFEGLLISDVEGHPSPGVAEKWENKDFKVWTFHLRENAKWSDGTPVTAHDFVYSWQRLADPNTASPYASYLQYGHIANIDDIIAGKKPATDLGVKALDDHTFEVTLSEPVPYFYKLLVHPSVSPVPKSAVEKFGDKWTQPANIVTNGAYKLKNWVVNERIVLERNPQYWDNAKTVINQVTYLPISSEVTDVNRYRSGEIDMTYNNMPIELFQKLKKEIPNEVRVDPYLCTYYYEINNQKAPFNDVRVRTALKLALDRDIIVNKVKNQGDLPAYSYTPPYTDGAKLVEPEWFKWSQQKRNEEAKKLLAEAGFTADKPLTFDLLYNTSDLHKKLAIAVASIWKKNLGVNVNLENQEWKTFLDTRHQGTFDVARAGWCADYNEPTSFLNTMLSDSSNNTAHYKSPAFDKLIADTLKVADDTQRSELYAKAEQQLDKDSAIVPVYYYVNARLVKPWVGGYTGKDPLDNIYVKNLYIIKH

Source

organism	Salmonella typhimurium
ncbi_taxonomy_id	602
host_organism	Escherichia coli

Entity 2 polymer

description	PROTEIN (LYS-TYR-LYS)
formula_weight	439.5 kDa
src_method	syn
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

KYK

Entity 3 non-polymer

description	URANYL (VI) ION
formula_weight	270.0 kDa
src_method	syn
entity_count	8

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	339

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6. Citations (5)

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length_a	110.670 Å
length_b	76.620 Å
length_c	71.650 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.800 Å
resolution_low	15.000 Å
r_factor	—
r_work	0.1789
r_free	0.2230

fit	/app/data/saxs_computation/b5/1b58/1b58.fit
pddf	/app/data/pr_computation/b5/1b58/1b58.pr.out
profile	/app/data/saxs_computation/b5/1b58/1b58.dat

OLIGO-PEPTIDE BINDING PROTEIN (OPPA) COMPLEXED WITH KYK

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

5. Entities & Polymer Info (4)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 water

6. Citations (5)

7. Files & Curves (10)

Files (7)

Curves (3)