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1e9g

STRUCTURE OF INORGANIC PYROPHOSPHATASE

Method: X-RAY DIFFRACTION D_max: 90.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e9g
deposition_date	2000-10-12
title	STRUCTURE OF INORGANIC PYROPHOSPHATASE
keywords	PYROPHOSPHATE PHOSPHOHYDROLASE, HYDROLASE, MANGANESE; 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	27.32 Å
rg_electron	26.67 Å
i0	66474600.00
molecular_weight	64531.0 kDa
excluded_volume	80888 Å³
envelope_volume	94499 Å³
shell_volume	30150 Å³
envelope_diameter	95.2 Å
shell_rg	33.54 Å
envelope_rg	26.61 Å
shape_rg	26.67 Å
total_rg	27.38 Å
total_atoms	8979
n_residues	567
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	90.8 Å
rg_real	27.43 Å
rg_real_error	0.86 Å
i0_real	6.6470e+07
i0_real_error	1.0240e+06
rg_reciprocal	27.40 Å
i0_reciprocal	66470000.0000
total_estimate	0.8747
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	28.2 Å
skewness	0.443
kurtosis	-0.384
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	20090000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.821; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.958; Smooth: 0.949

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	INORGANIC PYROPHOSPHATASE
formula_weight	32225.4 kDa
ec_number	3.6.1.1
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	10446

TYTTRQIGAKNTLEYKVYIEKDGKPVSAFHDIPLYADKENNIFNMVVEIPRWTNAKLEITKEETLNPIIQDTKKGKLRFVRNCFPHHGYIHNYGAFPQTWEDPNVSHPETKAVGDNDPIDVLEIGETIAYTGQVKQVKALGIMALLDEGETDWKVIAIDINDPLAPKLNDIEDVEKYFPGLLRATNEWFRIYKIPDGKPENQFAFSGEAKNKKYALDIIKETHDSWKQLIAGKSSDSKGIDLTNVTLPDTPTYSKAASDAIPPASLKADAPIDKSIDKWFFISGSV

Source

organism	SACCHAROMYCES CEREVISIAE
ncbi_taxonomy_id	4932
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	MANGANESE (II) ION
formula_weight	54.9 kDa
src_method	syn
entity_count	8

Entity 3 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	4

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1023

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6. Citations (1)

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length_a	58.318 Å
length_b	103.087 Å
length_c	116.518 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.150 Å
resolution_low	8.000 Å
r_factor	—
r_work	—
r_free	—

fit	/app/data/saxs_computation/e9/1e9g/1e9g.fit
pddf	/app/data/pr_computation/e9/1e9g/1e9g.pr.out
profile	/app/data/saxs_computation/e9/1e9g/1e9g.dat

STRUCTURE OF INORGANIC PYROPHOSPHATASE

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