SAXSdb — 1by3

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1. Structure Basics

entry_id	1by3
deposition_date	1998-10-22
title	FHUA FROM E. COLI
keywords	FHUA, MEMBRANE PROTEIN, LIGAND-GATED, IRON TRANSPORT; MEMBRANE 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	26.40 Å
rg_electron	25.71 Å
i0	100916000.00
molecular_weight	78337.0 kDa
excluded_volume	97577 Å³
envelope_volume	118350 Å³
shell_volume	37172 Å³
envelope_diameter	88.0 Å
shell_rg	34.42 Å
envelope_rg	25.73 Å
shape_rg	25.72 Å
total_rg	26.52 Å
total_atoms	5526
n_residues	695
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	83.9 Å
rg_real	26.26 Å
rg_real_error	0.56 Å
i0_real	1.0090e+08
i0_real_error	1.5700e+06
rg_reciprocal	26.30 Å
i0_reciprocal	100900000.0000
total_estimate	0.8864
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	82.5 Å
skewness	0.232
kurtosis	-0.253
angular_range	— – 0.3000 Å⁻¹
current_alpha	0.0000
highest_alpha	17800000.0000
n_real_points	61
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.846; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.990

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PROTEIN (FERRICHROME-IRON RECEPTOR PRECURSOR (FHUA))
formula_weight	78929.0 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5677

AVEPKEDTITVTAAPAPQESAWGPAATIAARQSATGTKTDTPIQKVPQSISVVTAEEMALHQPKSVKEALSYTPGVSVGTRGASNTYDHLIIRGFAAEGQSQNNYLNGLKLQGNFYNDAVIDPYMLERAEIMRGPVSVLYGKSSPGGLLNMVSKRPTTEPLKEVQFKAGTDSLFQTGFDFSDSLDDDGVYSYRLTGLARSANAQQKGSEEQRYAIAPAFTWRPDDKTNFTFLSYFQNEPETGYYGWLPKEGTVEPLPNGKRLPTDFNEGAKNNTYSRNEKMVGYSFDHEFNDTFTVRQNLRFAENKTSQNSVYGYGVCSDPANAYSKQCAALAPADKGHYLARKYVVDDEKLQNFSVDTQLQSKFATGDIDHTLLTGVDFMRMRNDINAWFGYDDSVPLLNLYNPVNTDFDFNAKDPANSGPYRILNKQKQTGVYVQDQAQWDKVLVTLGGRYDWADQESLNRVAGTTDKRDDKQFTWRGGVNYLFDNGVTPYFSYSESFEPSSQVGKDGNIFAPSKGKQYEVGVKYVPEDRPIVVTGAVYNLTKTNNLMADPEGSFFSVEGGEIRARGVEIEAKRPLSASVNVVGSYTYTDAEYTTDTTYKGNTPAQVPKHMASLWADYTFFDGPLSGLTLGTGGRYTGSSYGDPANSFKVGSYTVVDALVRYDLARVGMAGSNVALHVNNLFDREYVASCFNTYGCFWGAERQVVATATFRF

Entity 2 non-polymer

description	N-OCTYL-2-HYDROXYETHYL SULFOXIDE
formula_weight	206.3 kDa
src_method	syn
entity_count	7

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	151

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6. Citations (2)

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length_a	132.900 Å
length_b	89.900 Å
length_c	90.000 Å
angle_alpha	90.00 °
angle_beta	95.20 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.740 Å
resolution_low	12.000 Å
r_factor	0.1860
r_work	0.1860
r_free	0.2440

fit	/app/data/saxs_computation/by/1by3/1by3.fit
pddf	/app/data/pr_computation/by/1by3/1by3.pr.out
profile	/app/data/saxs_computation/by/1by3/1by3.dat

FHUA FROM E. COLI

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 (3)

Entity 1 polymer

Polymer

Entity 2 non-polymer

Entity 3 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)