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1f34

CRYSTAL STRUCTURE OF ASCARIS PEPSIN INHIBITOR-3 BOUND TO PORCINE PEPSIN

Method: X-RAY DIFFRACTION D_max: 84.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1f34
deposition_date	2000-05-31
title	CRYSTAL STRUCTURE OF ASCARIS PEPSIN INHIBITOR-3 BOUND TO PORCINE PEPSIN
keywords	proteinase-inhibitor complex, HYDROLASE-HYDROLASE INHIBITOR COMPLEX; HYDROLASE/HYDROLASE INHIBITOR
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	23.67 Å
rg_electron	22.40 Å
i0	42712200.00
molecular_weight	49995.0 kDa
excluded_volume	62096 Å³
envelope_volume	73370 Å³
shell_volume	27110 Å³
envelope_diameter	83.3 Å
shell_rg	29.81 Å
envelope_rg	22.58 Å
shape_rg	22.37 Å
total_rg	23.37 Å
total_atoms	3515
n_residues	463
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	84.1 Å
rg_real	23.60 Å
rg_real_error	0.90 Å
i0_real	4.2710e+07
i0_real_error	7.4710e+05
rg_reciprocal	23.62 Å
i0_reciprocal	42710000.0000
total_estimate	0.7588
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	30.2 Å
skewness	0.334
kurtosis	-0.132
angular_range	— – 0.3350 Å⁻¹
current_alpha	0.0000
highest_alpha	8396000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.638; Stabil: 0.988; Sysdev: 1.000; Positv: 1.000; Valcen: 0.979; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PEPSIN A
formula_weight	34593.5 kDa
ec_number	3.4.23.1
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3617

IGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA

Entity 2 polymer

description	MAJOR PEPSIN INHIBITOR PI-3
formula_weight	16411.7 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

QFLFSMSTGPFICTVKDNQVFVANLPWTMLEGDDIQVGKEFAARVEDCTNVKHDMAPTCTKPPPFCGPQDMKMFNFVGCSVLGNKLFIDQKYVRDLTAKDHAEVQTFREKIAAFEEQQENQPPSSGMPHGAVPAGGLSPPPPPSFCTVQ

Source

organism	Ascaris suum
common_name	pig roundworm
ncbi_taxonomy_id	6253
host_organism	Escherichia coli

Entity 3 non-polymer

description	(4S)-2-METHYL-2,4-PENTANEDIOL
formula_weight	118.2 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	102

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6. Citations (1)

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length_a	65.374 Å
length_b	97.593 Å
length_c	136.394 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	2.450 Å
resolution_low	18.660 Å
r_factor	0.2180
r_work	0.2180
r_free	0.2900

fit	/app/data/saxs_computation/f3/1f34/1f34.fit
pddf	/app/data/pr_computation/f3/1f34/1f34.pr.out
profile	/app/data/saxs_computation/f3/1f34/1f34.dat

CRYSTAL STRUCTURE OF ASCARIS PEPSIN INHIBITOR-3 BOUND TO PORCINE PEPSIN

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 (4)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)