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1ct8

CATALYTIC ANTIBODY 7C8 COMPLEX

Method: X-RAY DIFFRACTION D_max: 155.8 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ct8
deposition_date	1999-08-20
title	CATALYTIC ANTIBODY 7C8 COMPLEX
keywords	ABZYME TRANSITION STATE ANALOG, 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	41.64 Å
rg_electron	42.20 Å
i0	145499000.00
molecular_weight	95716.0 kDa
excluded_volume	118780 Å³
envelope_volume	159250 Å³
shell_volume	36163 Å³
envelope_diameter	152.1 Å
shell_rg	39.88 Å
envelope_rg	42.20 Å
shape_rg	42.15 Å
total_rg	42.23 Å
total_atoms	6726
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	155.8 Å
rg_real	42.35 Å
rg_real_error	2.66 Å
i0_real	1.4550e+08
i0_real_error	3.2130e+06
rg_reciprocal	41.65 Å
i0_reciprocal	145400000.0000
total_estimate	0.7053
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	32.8 Å
skewness	0.691
kurtosis	-0.251
angular_range	— – 0.1900 Å⁻¹
current_alpha	0.0000
highest_alpha	12050000.0000
n_real_points	39
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.355; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.326; Smooth: 0.775

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	7C8 FAB FRAGMENT; SHORT CHAIN
formula_weight	23546.0 kDa
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,C
atom_count	6921

ELVMTQTPATLSVTPGDSVSLSCRASQSVSNKLHWYQQKSHESPRLLIKFASQSIPGIPSRFSGSGSGSDFTLSINSVETEDFGIYFCHQTHGRPLTFGAGTKLELKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC

Entity 2 polymer

description	7C8 FAB FRAGMENT; LONG CHAIN
formula_weight	23668.6 kDa
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,D

QVKLLESGAVLVKPGASVKLSCKTSGFTFSSSYINWLKQKPGQSLEWIAWIYAGSGGTVYNQHFTDKARLTVDTSSSTAYMQFSSLTTEDSAIYYCARYRYDEGFAYWGQGTLVTVSAAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAHPASSTKVDKKIVPRDC

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	;[4-(2,2,2-TRIFLUORO-ACETYLAMINO)-BENZYL]-PHOSPHONIC ACID MONO-[2-(2,2-DICHLORO-1-HYDROXY-ETHYLAMINO)-3-HYDROXY-1-(4-NITRO-PHENYL)-PROPYL] ESTER ;
formula_weight	590.3 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	195

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6. Citations (1)

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length_a	54.558 Å
length_b	65.612 Å
length_c	117.761 Å
angle_alpha	90.00 °
angle_beta	95.56 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.200 Å
resolution_low	14.300 Å
r_factor	—
r_work	0.2110
r_free	0.2750

fit	/app/data/saxs_computation/ct/1ct8/1ct8.fit
pddf	/app/data/pr_computation/ct/1ct8/1ct8.pr.out
profile	/app/data/saxs_computation/ct/1ct8/1ct8.dat

CATALYTIC ANTIBODY 7C8 COMPLEX

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 (5)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)