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1a4j

DIELS ALDER CATALYTIC ANTIBODY GERMLINE PRECURSOR

Method: X-RAY DIFFRACTION D_max: 140.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a4j
deposition_date	1998-01-30
title	DIELS ALDER CATALYTIC ANTIBODY GERMLINE PRECURSOR
keywords	IMMUNOGLOBULIN, ANTIBODY, CATALYTIC ANTIBODY, DIELS ALDER, GERMLINE; IMMUNOGLOBULIN
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	43.26 Å
rg_electron	43.85 Å
i0	135021000.00
molecular_weight	94034.0 kDa
excluded_volume	117580 Å³
envelope_volume	168150 Å³
shell_volume	35597 Å³
envelope_diameter	153.0 Å
shell_rg	42.35 Å
envelope_rg	42.97 Å
shape_rg	43.83 Å
total_rg	43.80 Å
total_atoms	6626
n_residues	868
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	140.5 Å
rg_real	43.87 Å
rg_real_error	1.59 Å
i0_real	1.3500e+08
i0_real_error	2.4720e+06
rg_reciprocal	43.27 Å
i0_reciprocal	134900000.0000
total_estimate	0.7537
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	35.1 Å
skewness	0.553
kurtosis	-0.499
angular_range	— – 0.1800 Å⁻¹
current_alpha	0.0000
highest_alpha	6312000.0000
n_real_points	37
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.741; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.561; Smooth: 0.011

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	IMMUNOGLOBULIN, DIELS ALDER CATALYTIC ANTIBODY (LIGHT CHAIN)
formula_weight	23706.5 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	L,A
atom_count	6890

ELVMTQTPLSLPVSLGDQASISCRSSQSLVHSNGNTYLHWYLQKPGQSPKLLIYKVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDLGVYFCSQSTHVPPTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG

Source

organism	Mus musculus
common_name	house mouse
ncbi_taxonomy_id	10090
host_organism	Escherichia coli

Entity 2 polymer

description	IMMUNOGLOBULIN, DIELS ALDER CATALYTIC ANTIBODY (HEAVY CHAIN)
formula_weight	23593.5 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	H,B

QVQLLESGPELKKPGETVKISCKASGYTFTNYGMNWVKQAPGKGLKWMGWINTYTGEPTYADDFKGRFAFSLETSASTAYLQINNLKNEDTATYFCVQAERLRRTFDYWGAGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEP

Source

organism	Mus musculus
common_name	house mouse
ncbi_taxonomy_id	10090
host_organism	Escherichia coli

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	264

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6. Citations (1)

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length_a	158.900 Å
length_b	49.330 Å
length_c	145.000 Å
angle_alpha	90.00 °
angle_beta	108.74 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.100 Å
resolution_low	20.000 Å
r_factor	0.2290
r_work	0.2290
r_free	0.2920

fit	/app/data/saxs_computation/a4/1a4j/1a4j.fit
pddf	/app/data/pr_computation/a4/1a4j/1a4j.pr.out
profile	/app/data/saxs_computation/a4/1a4j/1a4j.dat

DIELS ALDER CATALYTIC ANTIBODY GERMLINE PRECURSOR

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

Source

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)