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1awr

CYPA COMPLEXED WITH HAGPIA

Method: X-RAY DIFFRACTION D_max: 195.8 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1awr
deposition_date	1997-10-04
title	CYPA COMPLEXED WITH HAGPIA
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	58.43 Å
rg_electron	59.15 Å
i0	183199000.00
molecular_weight	110680.0 kDa
excluded_volume	137960 Å³
envelope_volume	237470 Å³
shell_volume	37982 Å³
envelope_diameter	174.1 Å
shell_rg	51.15 Å
envelope_rg	54.68 Å
shape_rg	59.15 Å
total_rg	58.87 Å
total_atoms	7788
n_residues	1020
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	195.8 Å
rg_real	58.82 Å
rg_real_error	2.61 Å
i0_real	1.8320e+08
i0_real_error	4.0070e+06
rg_reciprocal	58.05 Å
i0_reciprocal	183000000.0000
total_estimate	0.6150
solution_quality	REASONABLE a REASONABLE solution
n_peaks	4
r_peak_primary	72.5 Å
skewness	0.275
kurtosis	-0.626
angular_range	— – 0.1350 Å⁻¹
current_alpha	0.0000
highest_alpha	4072000.0000
n_real_points	28
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.002; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	CYCLOPHILIN A
formula_weight	17905.3 kDa
ec_number	5.2.1.8
src_method	man
entity_count	6

Polymer

type	polypeptide(L)
strand_id	A,B,C,D,E,F
atom_count	7963

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	6

Polymer

type	polypeptide(L)
strand_id	G,H,I,J,K,L

HAGPIA

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	175

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6. Citations (1)

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length_a	72.910 Å
length_b	72.910 Å
length_c	188.560 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	24

space_group	P 41
int_tables_number	76
crystal_system	—

resolution	1.580 Å
resolution_low	15.000 Å
r_factor	0.3940
r_work	0.3940
r_free	0.4610

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

CYPA COMPLEXED WITH HAGPIA

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)