SAXSdb — 9wf6

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1. Structure Basics

entry_id	9wf6
deposition_date	2025-08-21
last_revision	2025-09-03
title	Crystal Structure of Escherichia coli GroEL with Magnesium Ions and a Phosphorylated Serine Residue-3.0 A
keywords	Escherichia coli GroEL, CHAPERONE; CHAPERONE
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	96.55 Å
rg_electron	97.03 Å
i0	33627500000.00
molecular_weight	1556900.0 kDa
excluded_volume	1951300 Å³
envelope_volume	3367900 Å³
shell_volume	293080 Å³
envelope_diameter	322.5 Å
shell_rg	90.41 Å
envelope_rg	93.75 Å
shape_rg	97.05 Å
total_rg	96.89 Å
total_atoms	108768
n_residues	14681
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	270.7 Å
rg_real	94.21 Å
rg_real_error	0.78 Å
i0_real	3.2330e+10
i0_real_error	5.7160e+08
rg_reciprocal	93.73 Å
i0_reciprocal	33310000000.0000
total_estimate	0.8924
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	101.5 Å
skewness	0.445
kurtosis	-0.459
angular_range	— – 0.0800 Å⁻¹
current_alpha	1.2080
highest_alpha	12930000000.0000
n_real_points	17
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.906; Stabil: 0.961; Sysdev: 1.000; Positv: 1.000; Valcen: 0.981; Smooth: 0.022

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	Chaperonin GroEL
formula_weight	57471.7 kDa
ec_number	5.6.1.7
src_method	nat
entity_count	17

Polymer

type	polypeptide(L)
strand_id	A,B,C,F,G,H,I,J,M,N,P,Q,T,U,Y,a,b
atom_count	108950

MAAKDVKFGNDARVKMLRGVNVLADAVKVTLGPKGRNVVLDKSFGAPTITKDGVSVAREIELEDKFENMGAQMVKEVASKANDAAGDGTTTATVLAQAIITEGLKAVAAGMNPMDLKRGIDKAVTAAVEELKALSVPCSDSKAIAQVGTISANSDETVGKLIAEAMDKVGKEGVITVEDGTGLQDELDVVEGMQFDRGYLSPYFINKPETGAVELESPFILLADKKISNIREMLPVLEAVAKAGKPLLIIAEDVEGEALATLVVNTMRGIVKVAAVKAPGFGDRRKAMLQDIATLTGGTVISEEIGMELEKATLEDLGQAKRVVINKDTTTIIDGVGEEAAIQGRVAQIRQQIEEATSDYDREKLQERVAKLAGGVAVIKVGAATEVEMKEKKARVEDALHATRAAVEEGVVAGGGVALIRVASKLADLRGQNEDQNVGIKVALRAMEAPLRQIVLNCGEEPSVVANTVKGGDGNYGYNAATEEYGNMIDMGILDPTKVTRSALQYAASVAGLMITTECMVTDLPKNDAADLGAAGGMGGMGGMGGMM

Entity 2 polymer

description	Chaperonin GroEL
formula_weight	57391.7 kDa
ec_number	5.6.1.7
src_method	nat
entity_count	11

Polymer

type	polypeptide(L)
strand_id	D,E,K,L,O,R,V,W,X,Z,c

MAAKDVKFGNDARVKMLRGVNVLADAVKVTLGPKGRNVVLDKSFGAPTITKDGVSVAREIELEDKFENMGAQMVKEVASKANDAAGDGTTTATVLAQAIITEGLKAVAAGMNPMDLKRGIDKAVTAAVEELKALSVPCSDSKAIAQVGTISANSDETVGKLIAEAMDKVGKEGVITVEDGTGLQDELDVVEGMQFDRGYLSPYFINKPETGAVELESPFILLADKKISNIREMLPVLEAVAKAGKPLLIIAEDVEGEALATLVVNTMRGIVKVAAVKAPGFGDRRKAMLQDIATLTGGTVISEEIGMELEKATLEDLGQAKRVVINKDTTTIIDGVGEEAAIQGRVAQIRQQIEEATSDYDREKLQERVAKLAGGVAVIKVGAATEVEMKEKKARVEDALHATRAAVEEGVVAGGGVALIRVASKLADLRGQNEDQNVGIKVALRAMEAPLRQIVLNCGEEPSVVANTVKGGDGNYGYNAATEEYGNMIDMGILDPTKVTRSALQYAASVAGLMITTECMVTDLPKNDAADLGAAGGMGGMGGMGGMM

Entity 3 non-polymer

description	BETA-MERCAPTOETHANOL
formula_weight	78.1 kDa
src_method	syn
entity_count	44

Entity 4 non-polymer

description	HEXANE-1,6-DIOL
formula_weight	118.2 kDa
src_method	syn
entity_count	42

Entity 5 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	14

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	182

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6. Citations (1)

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length_a	285.871 Å
length_b	136.256 Å
length_c	287.795 Å
angle_alpha	90.00 °
angle_beta	117.11 °
angle_gamma	90.00 °
z_pdb	34

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.990 Å
resolution_low	49.740 Å
r_factor	0.2064
r_work	0.2048
r_free	0.2357

fit	/app/data/saxs_computation/wf/9wf6/9wf6.fit
pddf	/app/data/pr_computation/wf/9wf6/9wf6.pr.out
profile	/app/data/saxs_computation/wf/9wf6/9wf6.dat

Crystal Structure of Escherichia coli GroEL with Magnesium Ions and a Phosphorylated Serine Residue-3.0 A

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)