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1aws

SECYPA COMPLEXED WITH HAGPIA (PSEUDO-SYMMETRIC MONOMER)

Method: X-RAY DIFFRACTION D_max: 49.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1aws
deposition_date	1997-10-04
title	SECYPA COMPLEXED WITH HAGPIA (PSEUDO-SYMMETRIC MONOMER)
keywords	COMPLEX (ISOMERASE-PEPTIDE), CYCLOPHILIN A, HIV-1 CAPSID, PSEUDO-SYMMETRY, COMPLEX (ISOMERASE-PEPTIDE) complex; COMPLEX (ISOMERASE/PEPTIDE)
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	15.40 Å
rg_electron	14.28 Å
i0	6891280.00
molecular_weight	18639.0 kDa
excluded_volume	23050 Å³
envelope_volume	24831 Å³
shell_volume	14263 Å³
envelope_diameter	48.7 Å
shell_rg	20.68 Å
envelope_rg	14.61 Å
shape_rg	14.30 Å
total_rg	15.41 Å
total_atoms	1298
n_residues	166
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	49.1 Å
rg_real	15.27 Å
rg_real_error	0.19 Å
i0_real	6.8910e+06
i0_real_error	6.7850e+04
rg_reciprocal	15.28 Å
i0_reciprocal	6891000.0000
total_estimate	0.8816
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	21.1 Å
skewness	0.065
kurtosis	-0.413
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	3120000.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.823; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.996

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	CYCLOPHILIN A
formula_weight	18092.9 kDa
ec_number	5.2.1.8
mutation	SELENO-METHIONINE SUBSTITUTED
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1350

VNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGFMCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	PEPTIDE FROM THE HIV-1 CAPSID PROTEIN
formula_weight	565.6 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

HAGPIA

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	52

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6. Citations (1)

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length_a	51.900 Å
length_b	51.900 Å
length_c	63.400 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 43
int_tables_number	78
crystal_system	—

resolution	2.550 Å
resolution_low	15.000 Å
r_factor	0.2620
r_work	0.2620
r_free	0.3370

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

SECYPA COMPLEXED WITH HAGPIA (PSEUDO-SYMMETRIC MONOMER)

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 (3)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)