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1baf

2.9 ANGSTROMS RESOLUTION STRUCTURE OF AN ANTI-DINITROPHENYL-SPIN-LABEL MONOCLONAL ANTIBODY FAB FRAGMENT WITH BOUND HAPTEN

Method: X-RAY DIFFRACTION D_max: 80.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1baf
deposition_date	1992-01-16
title	2.9 ANGSTROMS RESOLUTION STRUCTURE OF AN ANTI-DINITROPHENYL-SPIN-LABEL MONOCLONAL ANTIBODY FAB FRAGMENT WITH BOUND HAPTEN
keywords	IMMUNOGLOBULIN, IMMUNE SYSTEM; 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	25.77 Å
rg_electron	24.74 Å
i0	39085500.00
molecular_weight	47543.0 kDa
excluded_volume	59042 Å³
envelope_volume	72938 Å³
shell_volume	24744 Å³
envelope_diameter	79.3 Å
shell_rg	31.90 Å
envelope_rg	24.30 Å
shape_rg	24.72 Å
total_rg	25.61 Å
total_atoms	4082
n_residues	431
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	80.6 Å
rg_real	25.75 Å
rg_real_error	0.42 Å
i0_real	3.9090e+07
i0_real_error	5.2370e+05
rg_reciprocal	25.76 Å
i0_reciprocal	39090000.0000
total_estimate	0.7524
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	28.6 Å
skewness	0.246
kurtosis	-0.600
angular_range	— – 0.3100 Å⁻¹
current_alpha	0.0000
highest_alpha	7909000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.964; Stabil: 1.000; Sysdev: 0.315; Positv: 1.000; Valcen: 0.989; Smooth: 0.954

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	IGG1-KAPPA AN02 FAB (LIGHT CHAIN)
formula_weight	23582.1 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	L
atom_count	4082

QIVLTQSPAIMSASPGEKVTMTCSASSSVYYMYWYQQKPGSSPRLLIYDTSNLASGVPVRFSGSGSGTSYSLTISRMEAEDAATYYCQQWSSYPPITFGVGTKLELKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC

Source

organism	Mus musculus
common_name	mouse
ncbi_taxonomy_id	10090

Entity 2 polymer

description	IGG1-KAPPA AN02 FAB (HEAVY CHAIN)
formula_weight	23635.4 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	H

DVQLQESGPGLVKPSQSQSLTCTVTGYSITSDYAWNWIRQFPGNKLEWMGYMSYSGSTRYNPSLRSRISITRDTSKNQFFLQLKSVTTEDTATYFCARGWPLAYWGQGTQVSVSEAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSPRPSETVTCNVAHPASSTKVDKKIVPRDC

Source

organism	Mus musculus
common_name	mouse
ncbi_taxonomy_id	10090

Entity 3 non-polymer

description	N-(2-AMINO-ETHYL)-4,6-DINITRO-N'-(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-4-YL)-BENZENE-1,3-DIAMINE
formula_weight	395.4 kDa
src_method	syn
entity_count	1

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6. Citations (4)

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length_a	73.230 Å
length_b	73.230 Å
length_c	373.800 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 65 2 2
int_tables_number	179
crystal_system	—

resolution	2.900 Å
resolution_low	8.000 Å
r_factor	0.1950
r_work	0.1950
r_free	—

fit	/app/data/saxs_computation/ba/1baf/1baf.fit
pddf	/app/data/pr_computation/ba/1baf/1baf.pr.out
profile	/app/data/saxs_computation/ba/1baf/1baf.dat

2.9 ANGSTROMS RESOLUTION STRUCTURE OF AN ANTI-DINITROPHENYL-SPIN-LABEL MONOCLONAL ANTIBODY FAB FRAGMENT WITH BOUND HAPTEN

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 non-polymer

6. Citations (4)

7. Files & Curves (10)

Files (7)

Curves (3)