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1ai1

HIV-1 V3 LOOP MIMIC

Method: X-RAY DIFFRACTION D_max: 82.7 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ai1
deposition_date	1996-11-06
title	HIV-1 V3 LOOP MIMIC
keywords	COMPLEX (ANTIBODY-PEPTIDE), ANTIBODY, CONSTRAINED HIV-1 V3 LOOP PEPTIDE, IMMUNOGLOBULIN, COMPLEX (ANTIBODY-PEPTIDE) complex; COMPLEX (ANTIBODY/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	25.62 Å
rg_electron	24.72 Å
i0	41187300.00
molecular_weight	48957.0 kDa
excluded_volume	60834 Å³
envelope_volume	73859 Å³
shell_volume	25181 Å³
envelope_diameter	84.6 Å
shell_rg	31.80 Å
envelope_rg	24.46 Å
shape_rg	24.71 Å
total_rg	25.54 Å
total_atoms	3442
n_residues	445
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	82.7 Å
rg_real	25.63 Å
rg_real_error	0.58 Å
i0_real	4.1190e+07
i0_real_error	5.6330e+05
rg_reciprocal	25.63 Å
i0_reciprocal	41190000.0000
total_estimate	0.9037
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	28.0 Å
skewness	0.304
kurtosis	-0.500
angular_range	— – 0.3100 Å⁻¹
current_alpha	0.0000
highest_alpha	8291000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.930; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.981; Smooth: 0.972

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	IGG1-KAPPA 59.1 FAB (LIGHT CHAIN)
formula_weight	23675.1 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	L
atom_count	3442

DIVMTQSPASLVVSLGQRATISCRASESVDSYGKSFMHWYQQKPGQPPKVLIYIASNLESGVPARFSGSGSRTDFTLTIDPVEADDAATYYCQQNNEDPPTFGAGTKLEMRRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNR

Entity 2 polymer

description	IGG1-KAPPA 59.1 FAB (HEAVY CHAIN)
formula_weight	24208.4 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	H

QVKLQESGPAVIKPSQSLSLTCIVSGFSITRTNYCWHWIRQAPGKGLEWMGRICYEGSIYYSPSIKSRSTISRDTSLNKFFIQLISVTNEDTAMYYCSRENHMYETYFDVWGQGTTVTVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSPRPSETVTCNVAHPASSTKVDKKIVPR

Entity 3 polymer

description	AIB142
formula_weight	2828.4 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	P

YNKRKRIHIGPGRAFYTTKNIIGC

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6. Citations (1)

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length_a	89.930 Å
length_b	154.430 Å
length_c	121.460 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	2.800 Å
resolution_low	12.000 Å
r_factor	0.2200
r_work	0.2200
r_free	—

fit	/app/data/saxs_computation/ai/1ai1/1ai1.fit
pddf	/app/data/pr_computation/ai/1ai1/1ai1.pr.out
profile	/app/data/saxs_computation/ai/1ai1/1ai1.dat

HIV-1 V3 LOOP MIMIC

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

Entity 2 polymer

Polymer

Entity 3 polymer

Polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)