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1f0j

CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 4B2B

Method: X-RAY DIFFRACTION D_max: 99.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1f0j
deposition_date	2000-05-16
title	CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 4B2B
keywords	PDE phosphodiesterase, HYDROLASE; 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	31.23 Å
rg_electron	30.74 Å
i0	106132000.00
molecular_weight	79655.0 kDa
excluded_volume	98632 Å³
envelope_volume	122260 Å³
shell_volume	33373 Å³
envelope_diameter	105.4 Å
shell_rg	37.50 Å
envelope_rg	30.47 Å
shape_rg	30.71 Å
total_rg	31.42 Å
total_atoms	5563
n_residues	688
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	99.8 Å
rg_real	31.29 Å
rg_real_error	0.73 Å
i0_real	1.0610e+08
i0_real_error	1.6930e+06
rg_reciprocal	31.27 Å
i0_reciprocal	106100000.0000
total_estimate	0.8886
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	31.3 Å
skewness	0.324
kurtosis	-0.611
angular_range	— – 0.2550 Å⁻¹
current_alpha	0.0000
highest_alpha	24220000.0000
n_real_points	52
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.912; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.934; Smooth: 0.876

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	PHOSPHODIESTERASE 4B
formula_weight	43320.7 kDa
ec_number	3.1.4.17
mutation	S487A, S489A
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6318

SISRFGVNTENEDHLAKELEDLNKWGLNIFNVAGYSHNRPLTCIMYAIFQERDLLKTFRISSDTFITYMMTLEDHYHSDVAYHNSLHAADVAQSTHVLLSTPALDAVFTDLEILAAIFAAAIHDVDHPGVSNQFLINTNSELALMYNDESVLENHHLAVGFKLLQEEHCDIFMNLTKKQRQTLRKMVIDMVLATDMSKHMSLLADLKTMVETKKVTSSGVLLLDNYTDRIQVLRNMVHCADLSNPTKSLELYRQWTDRIMEEFFQQGDKERERGMEISPMCDKHTASVEKSQVGFIDYIVHPLWETWADLVQPDAQDILDTLEDNRNWYQSMIPQAPAPPLDEQNRDCQGLMEKFQFELTLDEEDSEGPEKEGEGHS

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	unidentified baculovirus

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	ARSENIC
formula_weight	74.9 kDa
src_method	syn
entity_count	5

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	755

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6. Citations (1)

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length_a	104.540 Å
length_b	159.580 Å
length_c	109.040 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	1.770 Å
resolution_low	18.000 Å
r_factor	0.2040
r_work	0.2040
r_free	0.2230

fit	/app/data/saxs_computation/f0/1f0j/1f0j.fit
pddf	/app/data/pr_computation/f0/1f0j/1f0j.pr.out
profile	/app/data/saxs_computation/f0/1f0j/1f0j.dat