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1acy

CRYSTAL STRUCTURE OF THE PRINCIPAL NEUTRALIZING SITE OF HIV-1

Method: X-RAY DIFFRACTION D_max: 81.8 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1acy
deposition_date	1994-02-10
title	CRYSTAL STRUCTURE OF THE PRINCIPAL NEUTRALIZING SITE OF HIV-1
keywords	COMPLEX(ANTIBODY-HIV-1 FRAGMENT), COMPLEX(ANTIBODY-HIV-1 FRAGMENT) complex; COMPLEX(ANTIBODY/HIV-1 FRAGMENT)
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	25.58 Å
rg_electron	24.68 Å
i0	41268000.00
molecular_weight	48942.0 kDa
excluded_volume	60802 Å³
envelope_volume	73534 Å³
shell_volume	25144 Å³
envelope_diameter	83.8 Å
shell_rg	31.69 Å
envelope_rg	24.40 Å
shape_rg	24.67 Å
total_rg	25.48 Å
total_atoms	3441
n_residues	446
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	81.8 Å
rg_real	25.58 Å
rg_real_error	0.62 Å
i0_real	4.1270e+07
i0_real_error	6.2920e+05
rg_reciprocal	25.58 Å
i0_reciprocal	41270000.0000
total_estimate	0.9061
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	27.7 Å
skewness	0.300
kurtosis	-0.509
angular_range	— – 0.3100 Å⁻¹
current_alpha	0.0000
highest_alpha	8274000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.940; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.983; Smooth: 0.973

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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	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	L
atom_count	3441

DIVMTQSPASLVVSLGQRATISCRASESVDSYGKSFMHWYQQKPGQPPKVLIYIASNLESGVPARFSGSGSRTDFTLTIDPVEADDAATYYCQQNNEDPPTFGAGTKLEMRRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNR

Source

organism	Mus musculus
common_name	house mouse
ncbi_taxonomy_id	10090

Entity 2 polymer

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

Polymer

type	polypeptide(L)
strand_id	H

QVKLQESGPAVIKPSQSLSLTCIVSGFSITRTNYCWHWIRQAPGKGLEWMGRICYEGSIYYSPSIKSRSTISRDTSLNKFFIQLISVTNEDTAMYYCSRENHMYETYFDVWGQGTTVTVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSPRPSETVTCNVAHPASSTKVDKKIVPR

Source

organism	Mus musculus
common_name	house mouse
ncbi_taxonomy_id	10090

Entity 3 polymer

description	HIV-1 GP120 (MN ISOLATE)
formula_weight	2814.3 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	P

YNKRKRIHIGPGRAFYTTKNIIGC

Source

organism	HIV-1 M:B_MN
ncbi_taxonomy_id	11696

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6. Citations (1)

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length_a	89.700 Å
length_b	154.000 Å
length_c	121.900 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	3.000 Å
resolution_low	12.000 Å
r_factor	0.2100
r_work	0.2100
r_free	—

fit	/app/data/saxs_computation/ac/1acy/1acy.fit
pddf	/app/data/pr_computation/ac/1acy/1acy.pr.out
profile	/app/data/saxs_computation/ac/1acy/1acy.dat

CRYSTAL STRUCTURE OF THE PRINCIPAL NEUTRALIZING SITE OF HIV-1

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

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 polymer

Polymer

Source

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)