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1f58

;IGG1 FAB FRAGMENT (58.2) COMPLEX WITH 24-RESIDUE PEPTIDE (RESIDUES 308-333 OF HIV-1 GP120 (MN ISOLATE) WITH ALA TO AIB SUBSTITUTION AT POSITION 323 ;

Method: X-RAY DIFFRACTION D_max: 84.8 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1f58
deposition_date	1998-10-21
title	;IGG1 FAB FRAGMENT (58.2) COMPLEX WITH 24-RESIDUE PEPTIDE (RESIDUES 308-333 OF HIV-1 GP120 (MN ISOLATE) WITH ALA TO AIB SUBSTITUTION AT POSITION 323 ;
keywords	IMMUNOGLOBULIN, FAB, HIV-1, GP120, V3, Viral protein-Immune system COMPLEX; Viral protein/Immune system
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	26.27 Å
rg_electron	25.32 Å
i0	42609800.00
molecular_weight	49679.0 kDa
excluded_volume	61668 Å³
envelope_volume	76346 Å³
shell_volume	25449 Å³
envelope_diameter	87.2 Å
shell_rg	32.40 Å
envelope_rg	24.96 Å
shape_rg	25.31 Å
total_rg	26.12 Å
total_atoms	3497
n_residues	454
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	84.8 Å
rg_real	26.28 Å
rg_real_error	0.72 Å
i0_real	4.2610e+07
i0_real_error	6.2110e+05
rg_reciprocal	26.28 Å
i0_reciprocal	42610000.0000
total_estimate	0.9033
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	26.8 Å
skewness	0.294
kurtosis	-0.547
angular_range	— – 0.3000 Å⁻¹
current_alpha	0.0000
highest_alpha	8479000.0000
n_real_points	61
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.931; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.961; Smooth: 0.985

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (IGG1 ANTIBODY 58.2 (LIGHT CHAIN))
formula_weight	23573.0 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	L
atom_count	3617

DIVLTQSPASLAVSLGQRATISCKASQGVDFDGASFMNWYQQKPGQPPKLLIFAASTLESGIPARFSGRGSGTDFTLNIHPVEEEDAATYYCQQSHEDPLTFGAGTKLELKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRA

Entity 2 polymer

description	PROTEIN (IGG1 ANTIBODY 58.2 (HEAVY CHAIN))
formula_weight	24864.7 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	H

DVQLQQSGPDLVKPSQSLSLTCTVTGYSITSGYSWHWIRQFPGNKLEWMGYIHYSAGTNYNPSLKSRISITRDTSKNQFFLQLNSVTTEDTATYYCAREEAMPYGNQAYYYAMDCWGQGTTVTVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSPRPSETVTCNVAHPASSTKVDKKIVPRDC

Entity 3 polymer

description	Envelope glycoprotein gp120
formula_weight	2725.2 kDa
src_method	syn
entity_count	1

Polymer

type	polypeptide(L)
strand_id	P

YNKRKRIHIGPGRAFYTTKNIIG

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	120

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6. Citations (1)

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length_a	72.890 Å
length_b	71.910 Å
length_c	88.250 Å
angle_alpha	90.00 °
angle_beta	98.31 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.000 Å
resolution_low	44.000 Å
r_factor	0.1960
r_work	0.1960
r_free	0.2560

fit	/app/data/saxs_computation/f5/1f58/1f58.fit
pddf	/app/data/pr_computation/f5/1f58/1f58.pr.out
profile	/app/data/saxs_computation/f5/1f58/1f58.dat

;IGG1 FAB FRAGMENT (58.2) COMPLEX WITH 24-RESIDUE PEPTIDE (RESIDUES 308-333 OF HIV-1 GP120 (MN ISOLATE) WITH ALA TO AIB SUBSTITUTION AT POSITION 323 ;

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

Entity 3 polymer

Polymer

Entity 4 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)