SAXSdb — 1aui

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1. Structure Basics

entry_id	1aui
deposition_date	1997-08-27
title	HUMAN CALCINEURIN HETERODIMER
keywords	HYDROLASE, PHOSPHATASE, IMMUNOSUPPRESSION; HYDROLASE
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	30.05 Å
rg_electron	29.74 Å
i0	61979100.00
molecular_weight	62687.0 kDa
excluded_volume	78555 Å³
envelope_volume	94121 Å³
shell_volume	28141 Å³
envelope_diameter	112.0 Å
shell_rg	34.52 Å
envelope_rg	30.11 Å
shape_rg	29.71 Å
total_rg	30.26 Å
total_atoms	4396
n_residues	543
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	106.8 Å
rg_real	30.37 Å
rg_real_error	1.21 Å
i0_real	6.1980e+07
i0_real_error	1.0300e+06
rg_reciprocal	30.23 Å
i0_reciprocal	61970000.0000
total_estimate	0.7899
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.2 Å
skewness	0.567
kurtosis	-0.361
angular_range	— – 0.2650 Å⁻¹
current_alpha	0.0000
highest_alpha	18990000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.560; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.598; Smooth: 0.987

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	SERINE/THREONINE PHOSPHATASE 2B
formula_weight	58756.7 kDa
ec_number	3.1.3.16
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4832

MSEPKAIDPKLSTTDRVVKAVPFPPSHRLTAKEVFDNDGKPRVDILKAHLMKEGRLEESVALRIITEGASILRQEKNLLDIDAPVTVCGDIHGQFFDLMKLFEVGGSPANTRYLFLGDYVDRGYFSIECVLYLWALKILYPKTLFLLRGNHECRHLTEYFTFKQECKIKYSERVYDACMDAFDCLPLAALMNQQFLCVHGGLSPEINTLDDIRKLDRFKEPPAYGPMCDILWSDPLEDFGNEKTQEHFTHNTVRGCSYFYSYPAVCEFLQHNNLLSILRAHEAQDAGYRMYRKSQTTGFPSLITIFSAPNYLDVYNNKAAVLKYENNVMNIRQFNCSPHPYWLPNFMDVFTWSLPFVGEKVTEMLVNVLNICSDDELGSEEDGFDGATAAARKEVIRNKIRAIGKMARVFSVLREESESVLTLKGLTPTGMLPSGVLSGGKQTLQSATVEAIEADEAIKGFSPQHKITSFEEAKGLDRINERMPPRRDAMPSDANLNSINKALTSETNGTDSNGSNSSNIQ

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	SERINE/THREONINE PHOSPHATASE 2B
formula_weight	19191.7 kDa
ec_number	3.1.3.16
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

GNEASYPLEMCSHFDADEIKRLGKRFKKLDLDNSGSLSVEEFMSLPELQQNPLVQRVIDIFDTDGNGEVDFKEFIEGVSQFSVKGDKEQKLRFAFRIYDMDKDGYISNGELFQVLKMMVGNNLKDTQLQQIVDKTIINADKDGDGRISFEEFCAVVGGLDIHKKMVVDV

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 3 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	FE (III) ION
formula_weight	55.8 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	4

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	436

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6. Citations (1)

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length_a	48.810 Å
length_b	104.340 Å
length_c	177.770 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	2.100 Å
resolution_low	10.000 Å
r_factor	0.1870
r_work	0.1870
r_free	—

fit	/app/data/saxs_computation/au/1aui/1aui.fit
pddf	/app/data/pr_computation/au/1aui/1aui.pr.out
profile	/app/data/saxs_computation/au/1aui/1aui.dat

HUMAN CALCINEURIN HETERODIMER

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

Source

Entity 2 polymer

Polymer

Source

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)