SAXSdb — 1dfl

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1. Structure Basics

entry_id	1dfl
deposition_date	1999-11-19
title	SCALLOP MYOSIN S1 COMPLEXED WITH MGADP:VANADATE-TRANSITION STATE
keywords	MYOSIN MOTOR, CONFORMATIONAL CHANGES, 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	55.82 Å
rg_electron	56.14 Å
i0	478509000.00
molecular_weight	147300.0 kDa
excluded_volume	169120 Å³
envelope_volume	405160 Å³
shell_volume	62944 Å³
envelope_diameter	195.2 Å
shell_rg	56.44 Å
envelope_rg	54.47 Å
shape_rg	56.13 Å
total_rg	56.16 Å
total_atoms	10500
n_residues	2112
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	196.2 Å
rg_real	55.98 Å
rg_real_error	2.31 Å
i0_real	4.7850e+08
i0_real_error	1.0730e+07
rg_reciprocal	55.66 Å
i0_reciprocal	478300000.0000
total_estimate	0.8057
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	70.1 Å
skewness	0.308
kurtosis	-0.479
angular_range	— – 0.1400 Å⁻¹
current_alpha	0.0000
highest_alpha	34550000.0000
n_real_points	29
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.847; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.928; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (7)

Entity 1 polymer

description	MYOSIN HEAD
formula_weight	94843.9 kDa
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	10500

FSDPDFQYLAVDRKKLMKEQTAAFDGKKNCWVPDEKEGFASAEIQSSKGDEITVKIVADSSTRTVKKDDIQSMNPPKFEKLEDMANMTYLNEASVLYNLRSRYTSGLIYTYSGLFCIAVNPYRRLPIYTDSVIAKYRGKRKTEIPPHLFSVADNAYQNMVTDRENQSCLITGESGAGKTENTKKVIMYLAKVACAVKKKDEEASDKKEGSLEDQIIQANPVLEAYGNAKTTRNNNSSRFGKFIRIHFGPTGKIAGADIETYLLEKSRVTYQQSAERNYHIFYQICSNAIPELNDVMLVTPDSGLYSFINQGCLTVDNIDDVEEFKLCDEAFDILGFTKEEKQSMFKCTASILHMGEMKFKQRPREEQAESDGTAEAEKVAFLCGINAGDLLKALLKPKVKVGTEMVTKGQNMNQVVNSVGALAKSLYDRMFNWLVRRVNKTLDTKAKRNYYIGVLDIAGFEIFDFNSFEQLCINYTNERLQQFFNHHMFILEQEEYKKEGIAWEFIDFGMDLQMCIDLIEKPMGILSILEEECMFPKADDKSFQDKLYQNHMGKNRMFTKPGKPTRPNQGPAHFELHHYAGNVPYSITGWLEKNKDPINENVVALLGASKEPLVAELFKAPEEPAGGGKKKKGKSSAFQTISAVHRESLNKLMKNLYSTHPHFVRCIIPNELKQPGLVDAELVLHQLQCNGVLEGIRICRKGFPSRLIYSEFKQRYSILAPNAIPQGFVDGKTVSEKILAGLQMDPAEYRLGTTKVFFKAGVLGNLEEMRDERLSKIISMFQAHIRGYLIRKAYKKLQDQRIGLSVIQRNIRKWLVLRNWQWWKLYSKVKP

Entity 2 polymer

description	MYOSIN HEAD
formula_weight	15914.1 kDa
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	Y,W

LPQKQIQEMKEAFSMIDVDRDGFVSKEDIKAISEQLGRAPDDKELTAMLKEAPGPLNFTMFLSIFSDKLSGTDSEETIRNAFAMFDEQETKKLNIEYIKDLLENMGDNFNKDEMRMTFKEAPVEGGKFDYVKFTAMIKG

Entity 3 polymer

description	MYOSIN HEAD
formula_weight	17165.1 kDa
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	Z,X

LSQDEIDDLKDVFELFDFWDGRDGAVDAFKLGDVCRCLGINPRNEDVFAVGGTHKMGEKSLPFEEFLPAYEGLMDCEQGTFADYMEAFKTFDREGQGFISGAELRHVLTALGERLSDEDVDEIIKLTDLQEDLEGNVKYEDFVKKVMAGPYP

Entity 4 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	4

Entity 5 non-polymer

description	VANADATE ION
formula_weight	114.9 kDa
src_method	syn
entity_count	2

Entity 6 non-polymer

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

Entity 7 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	2

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6. Citations (3)

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length_a	53.032 Å
length_b	243.475 Å
length_c	124.650 Å
angle_alpha	90.00 °
angle_beta	100.20 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	4.200 Å
resolution_low	20.000 Å
r_factor	0.3940
r_work	0.3940
r_free	0.4000

fit	/app/data/saxs_computation/df/1dfl/1dfl.fit
pddf	/app/data/pr_computation/df/1dfl/1dfl.pr.out
profile	/app/data/saxs_computation/df/1dfl/1dfl.dat

SCALLOP MYOSIN S1 COMPLEXED WITH MGADP:VANADATE-TRANSITION STATE

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 (7)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 polymer

Polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 non-polymer

Entity 7 non-polymer

6. Citations (3)

7. Files & Curves (10)

Files (7)

Curves (3)