SAXSdb — 1a6e

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1. Structure Basics

entry_id	1a6e
deposition_date	1998-02-24
title	THERMOSOME-MG-ADP-ALF3 COMPLEX
keywords	;THERMOPLASMA ACIDOPHILUM, GROUP II CHAPERONIN, CCT, TRIC, PROTEIN FOLDING, ATPASE, TRANSITION STATE COMPLEX, ATP HYDROLYSIS, CHAPERONIN ;; CHAPERONIN
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	34.88 Å
rg_electron	34.47 Å
i0	189637000.00
molecular_weight	109340.0 kDa
excluded_volume	136720 Å³
envelope_volume	177280 Å³
shell_volume	43278 Å³
envelope_diameter	115.5 Å
shell_rg	40.74 Å
envelope_rg	33.98 Å
shape_rg	34.49 Å
total_rg	34.85 Å
total_atoms	9388
n_residues	1005
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	114.2 Å
rg_real	34.86 Å
rg_real_error	0.93 Å
i0_real	1.8960e+08
i0_real_error	3.0320e+06
rg_reciprocal	34.88 Å
i0_reciprocal	189600000.0000
total_estimate	0.6823
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	43.1 Å
skewness	0.251
kurtosis	-0.539
angular_range	— – 0.2250 Å⁻¹
current_alpha	0.0000
highest_alpha	34410000.0000
n_real_points	46
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.925; Stabil: 1.000; Sysdev: 0.062; Positv: 1.000; Valcen: 0.989; Smooth: 0.914

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	THERMOSOME (ALPHA SUBUNIT)
formula_weight	58323.8 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	9390

MMTGQVPILVLKEGTQREQGKNAQRNNIEAAKAIADAVRTTLGPKGMDKMLVDSIGDIIISNDGATILKEMDVEHPTAKMIVEVSKAQDTAVGDGTTTAVVLSGELLKQAETLLDQGVHPTVISNGYRLAVNEARKIIDEIAEKSTDDATLRKIALTALSGKNTGLSNDFLADLVVKAVNAVAEVRDGKTIVDTANIKVDKKNGGSVNDTQFISGIVIDKEKVHSKMPDVVKNAKIALIDSALEIKKTEIEAKVQISDPSKIQDFLNQETNTFKQMVEKIKKSGANVVLCQKGIDDVAQHYLAKEGIYAVRRVKKSDMEKLAKATGAKIVTDLDDLTPSVLGEAETVEERKIGDDRMTFVMGCKNPKAVSILIRGGTDHVVSEVERALNDAIRVVAITKEDGKFLWGGGAVEAELAMRLAKYANSVGGREQLAIEAFAKALEIIPRTLAENAGIDPINTLIKLKADDEKGRISVGVDLDNNGVGDMKAKGVVDPLRVKTHALESAVEVATMILRIDDVIASKKSTPPSGQGGQGQGMPGGGMPEY

Entity 2 polymer

description	THERMOSOME (BETA SUBUNIT)
formula_weight	58552.6 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

MIAGQPIFILKEGTKRESGKDAMKENIEAAIAISNSVRSSLGPRGMDKMLVDSLGDIVITNDGVTILKEMDVEHPAAKMMVEVSKTQDSFVGDGTTTAVIIAGGLLQQAQGLINQNVHPTVISEGYRMASEEAKRVIDEISTKIGADEKALLLKMAQTSLNSKSASVAKDKLAEISYEAVKSVAELRDGKYYVDFDNIQVVKKQGGAIDDTQLINGIIVDKEKVHPGMPDVVKDAKIALLDAPLEIKKPEFDTNLRIEDPSMIQKFLAQEENMLREMVDKIKSVGANVVITQKGIDDMAQHYLSRAGIYAVRRVKKSDMDKLAKATGASIVSTIDEISSSDLGTAERVEQVKVGEDYMTFVTGCKNPKAVSILVRGETEHVVDEMERSITDSLHVVASALEDGAYAAGGGATAAEIAFRLRSYAQKIGGRQQLAIEKFADAIEEIPRALAENAGLDPIDILLKLRAEHAKGNKTYGINVFTGEIEDMVKNGVIEPIRVGKQAIESATEAAIMILRIDDVIATKSSSSSSNPPKSGSSSESSED

Entity 3 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	ADENOSINE-5'-DIPHOSPHATE
formula_weight	427.2 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	ALUMINUM FLUORIDE
formula_weight	84.0 kDa
src_method	syn
entity_count	2

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	2

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6. Citations (1)

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length_a	167.800 Å
length_b	167.800 Å
length_c	202.300 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	I 4 2 2
int_tables_number	97
crystal_system	—

resolution	3.200 Å
resolution_low	8.000 Å
r_factor	0.1810
r_work	0.1810
r_free	0.2850

fit	/app/data/saxs_computation/a6/1a6e/1a6e.fit
pddf	/app/data/pr_computation/a6/1a6e/1a6e.pr.out
profile	/app/data/saxs_computation/a6/1a6e/1a6e.dat

THERMOSOME-MG-ADP-ALF3 COMPLEX

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 (6)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)