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1dej

;CRYSTAL STRUCTURE OF A DICTYOSTELIUM/TETRAHYMENA CHIMERA ACTIN (MUTANT 646: Q228K/T229A/A230Y/A231K/S232E/E360H) IN COMPLEX WITH HUMAN GELSOLIN SEGMENT 1 ;

Method: X-RAY DIFFRACTION D_max: 84.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dej
deposition_date	1999-11-15
title	;CRYSTAL STRUCTURE OF A DICTYOSTELIUM/TETRAHYMENA CHIMERA ACTIN (MUTANT 646: Q228K/T229A/A230Y/A231K/S232E/E360H) IN COMPLEX WITH HUMAN GELSOLIN SEGMENT 1 ;
keywords	ACTIN MUTANT, CONTRACTILE PROTEIN; CONTRACTILE 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	25.11 Å
rg_electron	24.27 Å
i0	51795700.00
molecular_weight	55886.0 kDa
excluded_volume	69836 Å³
envelope_volume	82744 Å³
shell_volume	28303 Å³
envelope_diameter	87.8 Å
shell_rg	31.70 Å
envelope_rg	24.74 Å
shape_rg	24.29 Å
total_rg	25.05 Å
total_atoms	3924
n_residues	494
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	84.5 Å
rg_real	25.08 Å
rg_real_error	0.50 Å
i0_real	5.1800e+07
i0_real_error	7.3040e+05
rg_reciprocal	25.09 Å
i0_reciprocal	51800000.0000
total_estimate	0.8847
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	29.5 Å
skewness	0.323
kurtosis	-0.311
angular_range	— – 0.3150 Å⁻¹
current_alpha	0.0000
highest_alpha	12390000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.842; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.973; Smooth: 0.998

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	GELSOLIN
formula_weight	14205.0 kDa
mutation	YES
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	S
atom_count	4329

MGSVVEHPEFLKAGKEPGLQIWRVEKFDLVPVPTCLYGDFFTGDAYVILKTVQLRNGNLQYDLHYWLGNECSQDESGAAAIFTVQLDDYLNGRAVQHREVQGFESATFLGYFKSGLKYKKGGVASGF

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	CHIMERIC ACTIN
formula_weight	41832.7 kDa
mutation	YES
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A

DGEDVQALVIDNGSGMCKAGFAGDDAPRAVFPSIVGRPRHTGVMVGMGQKDSYVGDEAQSKRGILTLKYPIEHGIVTNWDDMEKIWHHTFYNELRVAPEEHPVLLTEAPLNPKANREKMTQIMFETFNTPAMYVAIQAVLSLYASGRTTGIVMDSGDGVSHTVPIYEGYALPHAILRLDLAGRDLTDYMMKILTERGYSFTTTAEREIVRDIKEKLAYVALDFEAEMKAYKESSALEKSYELPDGQVITIGNERFRCPEALFQPSFLGMESAGIHETTYNSIMKCDVDIRKDLYGNVVLSGGTTMFPGIADRMNKELTALAPSTMKIKIIAPPERKYSVWIGGSILASLSTFQQMWISKHEYDESGPSIVHRKCF

Source

organism	Dictyostelium discoideum, Tetrahymena thermophila
common_name	,
host_organism	Dictyostelium discoideum

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	3

Entity 4 non-polymer

description	ADENOSINE-5'-TRIPHOSPHATE
formula_weight	507.2 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	405

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6. Citations (3)

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length_a	56.893 Å
length_b	69.385 Å
length_c	183.241 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	2.400 Å
resolution_low	10.000 Å
r_factor	—
r_work	0.1710
r_free	0.2140

fit	/app/data/saxs_computation/de/1dej/1dej.fit
pddf	/app/data/pr_computation/de/1dej/1dej.pr.out
profile	/app/data/saxs_computation/de/1dej/1dej.dat

;CRYSTAL STRUCTURE OF A DICTYOSTELIUM/TETRAHYMENA CHIMERA ACTIN (MUTANT 646: Q228K/T229A/A230Y/A231K/S232E/E360H) IN COMPLEX WITH HUMAN GELSOLIN SEGMENT 1 ;

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 (5)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. Citations (3)

7. Files & Curves (10)

Files (7)

Curves (3)