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1a75

WHITING PARVALBUMIN

Method: X-RAY DIFFRACTION D_max: 69.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a75
deposition_date	1998-03-19
title	WHITING PARVALBUMIN
keywords	CALCIUM BINDING PROTEIN, MUSCLE PROTEIN; CALCIUM BINDING 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	20.08 Å
rg_electron	19.23 Å
i0	8855920.00
molecular_weight	22464.0 kDa
excluded_volume	28258 Å³
envelope_volume	32670 Å³
shell_volume	15209 Å³
envelope_diameter	69.0 Å
shell_rg	23.94 Å
envelope_rg	19.22 Å
shape_rg	19.20 Å
total_rg	20.05 Å
total_atoms	1575
n_residues	214
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	69.0 Å
rg_real	20.15 Å
rg_real_error	0.59 Å
i0_real	8.8560e+06
i0_real_error	1.2970e+05
rg_reciprocal	20.13 Å
i0_reciprocal	8856000.0000
total_estimate	0.8451
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	20.7 Å
skewness	0.419
kurtosis	-0.424
angular_range	— – 0.3950 Å⁻¹
current_alpha	0.0000
highest_alpha	1629000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.686; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.934; Smooth: 0.990

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PARVALBUMIN
formula_weight	11335.8 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1810

AFAGILADADCAAAVKACEAADSFSYKAFFAKCGLSGKSADDIKKAFVFIDQDKSGFIEEDELKLFLQVFKAGARALTDAETKAFLKAGDSDGDGAIGVEEWVALVKA

Entity 2 polymer

description	PARVALBUMIN
formula_weight	11361.8 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

XAFAGILADADCAAAVKACEAADSFSYKAFFAKCGLSGKSADDIKKAFVFIDQDKSGFIEEDELKLFLQVFKAGARALTDAETKAFLKAGDSDGDGAIGVEEWVALVKA

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	4

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	235

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6. Citations (5)

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length_a	34.730 Å
length_b	27.590 Å
length_c	98.510 Å
angle_alpha	90.00 °
angle_beta	91.49 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.900 Å
resolution_low	12.000 Å
r_factor	0.2139
r_work	—
r_free	—

fit	/app/data/saxs_computation/a7/1a75/1a75.fit
pddf	/app/data/pr_computation/a7/1a75/1a75.pr.out
profile	/app/data/saxs_computation/a7/1a75/1a75.dat

WHITING PARVALBUMIN

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 (4)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 water

6. Citations (5)

7. Files & Curves (10)

Files (7)

Curves (3)