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1awb

HUMAN MYO-INOSITOL MONOPHOSPHATASE IN COMPLEX WITH D-INOSITOL-1-PHOSPHATE AND CALCIUM

Method: X-RAY DIFFRACTION D_max: 80.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1awb
deposition_date	1997-10-01
title	HUMAN MYO-INOSITOL MONOPHOSPHATASE IN COMPLEX WITH D-INOSITOL-1-PHOSPHATE AND CALCIUM
keywords	HYDROLASE, MYO-INOSITOL, PHOSPHATASE; 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	24.21 Å
rg_electron	23.36 Å
i0	59884700.00
molecular_weight	60069.0 kDa
excluded_volume	75078 Å³
envelope_volume	86921 Å³
shell_volume	30281 Å³
envelope_diameter	80.1 Å
shell_rg	31.29 Å
envelope_rg	23.52 Å
shape_rg	23.39 Å
total_rg	24.12 Å
total_atoms	4182
n_residues	544
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	80.6 Å
rg_real	24.13 Å
rg_real_error	0.56 Å
i0_real	5.9880e+07
i0_real_error	7.8050e+05
rg_reciprocal	24.15 Å
i0_reciprocal	59890000.0000
total_estimate	0.8012
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	29.0 Å
skewness	0.320
kurtosis	-0.239
angular_range	— – 0.3300 Å⁻¹
current_alpha	0.0000
highest_alpha	27440000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.805; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	MYO-INOSITOL MONOPHOSPHATASE
formula_weight	30088.6 kDa
ec_number	3.1.3.25
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4506

ADPWQECMDYAVTLARQAGEVVCEAIKNEMNVMLKSSPVDLVTATDQKVEKMLISSIKEKYPSHSFIGEESVAAGEKSILTDNPTWIIDPIDGTTNFVHRFPFVAVSIGFAVNKKIEFGVVYSCVEGKMYTARKGKGAFCNGQKLQVSQQEDITKSLLVTELGSSRTPETVRMVLSNMEKLFCIPVHGIRSVGTAAVNMCLVATGGADAYYEMGIHCWDVAGAGIIVTEAGGVLMDVTGGPFDLMSRRVIAANNRILAERIAKEIQVIPLQRDDED

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	6

Entity 3 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	D-MYO-INOSITOL-1-PHOSPHATE
formula_weight	258.1 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	320

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6. Citations (1)

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length_a	86.370 Å
length_b	86.370 Å
length_c	153.795 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 32 2 1
int_tables_number	154
crystal_system	—

resolution	2.500 Å
resolution_low	10.000 Å
r_factor	0.1530
r_work	0.1530
r_free	0.1890

fit	/app/data/saxs_computation/aw/1awb/1awb.fit
pddf	/app/data/pr_computation/aw/1awb/1awb.pr.out
profile	/app/data/saxs_computation/aw/1awb/1awb.dat