SAXSdb — 1dfk

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1. Structure Basics

entry_id	1dfk
deposition_date	1999-11-19
title	NUCLEOTIDE-FREE SCALLOP MYOSIN S1-NEAR RIGOR 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	47.66 Å
rg_electron	49.59 Å
i0	114503000.00
molecular_weight	70486.0 kDa
excluded_volume	81116 Å³
envelope_volume	179340 Å³
shell_volume	36043 Å³
envelope_diameter	180.7 Å
shell_rg	42.85 Å
envelope_rg	49.23 Å
shape_rg	49.57 Å
total_rg	49.24 Å
total_atoms	5032
n_residues	1019
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	171.6 Å
rg_real	49.07 Å
rg_real_error	2.67 Å
i0_real	1.1450e+08
i0_real_error	2.5310e+06
rg_reciprocal	47.67 Å
i0_reciprocal	114300000.0000
total_estimate	0.6612
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	36.4 Å
skewness	0.759
kurtosis	-0.169
angular_range	— – 0.1650 Å⁻¹
current_alpha	0.0000
highest_alpha	11800000.0000
n_real_points	34
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.329; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.319; Smooth: 0.290

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	MYOSIN HEAD
formula_weight	94696.7 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5032

SDPDFQYLAVDRKKLMKEQTAAFDGKKNCWVPDEKEGFASAEIQSSKGDEITVKIVADSSTRTVKKDDIQSMNPPKFEKLEDMANMTYLNEASVLYNLRSRYTSGLIYTYSGLFCIAVNPYRRLPIYTDSVIAKYRGKRKTEIPPHLFSVADNAYQNMVTDRENQSCLITGESGAGKTENTKKVIMYLAKVACAVKKKDEEASDKKEGSLEDQIIQANPVLEAYGNAKTTRNNNSSRFGKFIRIHFGPTGKIAGADIETYLLEKSRVTYQQSAERNYHIFYQICSNAIPELNDVMLVTPDSGLYSFINQGCLTVDNIDDVEEFKLCDEAFDILGFTKEEKQSMFKCTASILHMGEMKFKQRPREEQAESDGTAEAEKVAFLCGINAGDLLKALLKPKVKVGTEMVTKGQNMNQVVNSVGALAKSLYDRMFNWLVRRVNKTLDTKAKRNYYIGVLDIAGFEIFDFNSFEQLCINYTNERLQQFFNHHMFILEQEEYKKEGIAWEFIDFGMDLQMCIDLIEKPMGILSILEEECMFPKADDKSFQDKLYQNHMGKNRMFTKPGKPTRPNQGPAHFELHHYAGNVPYSITGWLEKNKDPINENVVALLGASKEPLVAELFKAPEEPAGGGKKKKGKSSAFQTISAVHRESLNKLMKNLYSTHPHFVRCIIPNELKQPGLVDAELVLHQLQCNGVLEGIRICRKGFPSRLIYSEFKQRYSILAPNAIPQGFVDGKTVSEKILAGLQMDPAEYRLGTTKVFFKAGVLGNLEEMRDERLSKIISMFQAHIRGYLIRKAYKKLQDQRIGLSVIQRNIRKWLVLRNWQWWKLYSKVKP

Entity 2 polymer

description	MYOSIN HEAD
formula_weight	15914.1 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	Y

LPQKQIQEMKEAFSMIDVDRDGFVSKEDIKAISEQLGRAPDDKELTAMLKEAPGPLNFTMFLSIFSDKLSGTDSEETIRNAFAMFDEQETKKLNIEYIKDLLENMGDNFNKDEMRMTFKEAPVEGGKFDYVKFTAMIKG

Entity 3 polymer

description	MYOSIN HEAD
formula_weight	17165.1 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	Z

LSQDEIDDLKDVFELFDFWDGRDGAVDAFKLGDVCRCLGINPRNEDVFAVGGTHKMGEKSLPFEEFLPAYEGLMDCEQGTFADYMEAFKTFDREGQGFISGAELRHVLTALGERLSDEDVDEIIKLTDLQEDLEGNVKYEDFVKKVMAGPYP

Entity 4 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

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6. Citations (3)

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length_a	86.500 Å
length_b	52.100 Å
length_c	164.600 Å
angle_alpha	90.00 °
angle_beta	100.30 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	4.200 Å
resolution_low	20.000 Å
r_factor	0.4150
r_work	0.4150
r_free	0.4100

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

NUCLEOTIDE-FREE SCALLOP MYOSIN S1-NEAR RIGOR 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

5. Entities & Polymer Info (4)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 polymer

Polymer

Entity 4 non-polymer

6. Citations (3)

7. Files & Curves (10)

Files (7)

Curves (3)