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1aod

PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C FROM LISTERIA MONOCYTOGENES

Method: X-RAY DIFFRACTION D_max: 57.5 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1aod
deposition_date	1997-07-02
title	PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C FROM LISTERIA MONOCYTOGENES
keywords	HYDROLASE, PHOSPHOLIPID DEGRADATION, VIRULENCE FACTOR OF HUMAN PATHOGEN; 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	18.94 Å
rg_electron	17.85 Å
i0	16126800.00
molecular_weight	31268.0 kDa
excluded_volume	39580 Å³
envelope_volume	44400 Å³
shell_volume	20184 Å³
envelope_diameter	56.8 Å
shell_rg	24.72 Å
envelope_rg	18.14 Å
shape_rg	17.84 Å
total_rg	18.88 Å
total_atoms	2203
n_residues	274
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	57.5 Å
rg_real	18.79 Å
rg_real_error	0.26 Å
i0_real	1.6130e+07
i0_real_error	1.6260e+05
rg_reciprocal	18.82 Å
i0_reciprocal	16130000.0000
total_estimate	0.9019
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	25.6 Å
skewness	0.072
kurtosis	-0.468
angular_range	— – 0.4200 Å⁻¹
current_alpha	0.0000
highest_alpha	3737000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.914; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.980; Smooth: 0.998

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C
formula_weight	32972.7 kDa
ec_number	3.1.4.10
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2297

AYSLNNWNKPIKNSVTTKQWMSALPDTTNLAALSIPGTHDTMSYNGDITWTLTKPLAQTQTMSLYQQLEAGIRYIDIRAKDNLNIYHGPIFLNASLSGVLETITQFLKKNPKETIIMRLKDEQNSNDSFDYRIQPLINIYKDYFYTTPRTDTSNKIPTLKDVRGKILLLSENHTKKPLVINSRKFGMQFGAPNQVIQDDYNGPSVKTKFKEIVQTAYQASKADNKLFLNHISATSLTFTPRQYAAALNNKVEQFVLNLTSEKVRGLGILIMDFPEKQTIKNIIKNNKFN

Source

organism	Listeria monocytogenes
ncbi_taxonomy_id	1639
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE
formula_weight	180.2 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	94

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6. Citations (1)

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length_a	82.100 Å
length_b	82.100 Å
length_c	92.100 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 31 2 1
int_tables_number	152
crystal_system	—

resolution	2.600 Å
resolution_low	20.000 Å
r_factor	0.1580
r_work	0.1580
r_free	0.2180

fit	/app/data/saxs_computation/ao/1aod/1aod.fit
pddf	/app/data/pr_computation/ao/1aod/1aod.pr.out
profile	/app/data/saxs_computation/ao/1aod/1aod.dat

PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C FROM LISTERIA MONOCYTOGENES

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