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1bqh

MURINE CD8AA ECTODOMAIN FRAGMENT IN COMPLEX WITH H-2KB/VSV8

Method: X-RAY DIFFRACTION D_max: 167.8 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bqh
deposition_date	1998-08-16
title	MURINE CD8AA ECTODOMAIN FRAGMENT IN COMPLEX WITH H-2KB/VSV8
keywords	T-CELL, CORECEPTOR, GLYCOPROTEIN, COMPLEX, IMMUNOLOGY, ANTIGEN, 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	51.63 Å
rg_electron	51.74 Å
i0	301055000.00
molecular_weight	144950.0 kDa
excluded_volume	181150 Å³
envelope_volume	269520 Å³
shell_volume	42817 Å³
envelope_diameter	171.0 Å
shell_rg	57.76 Å
envelope_rg	49.46 Å
shape_rg	51.73 Å
total_rg	51.96 Å
total_atoms	10204
n_residues	1256
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	167.8 Å
rg_real	51.91 Å
rg_real_error	1.88 Å
i0_real	3.0110e+08
i0_real_error	6.1450e+06
rg_reciprocal	51.36 Å
i0_reciprocal	300800000.0000
total_estimate	0.6697
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	33.6 Å
skewness	0.224
kurtosis	-1.170
angular_range	— – 0.1500 Å⁻¹
current_alpha	0.0000
highest_alpha	28460000.0000
n_real_points	31
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.139; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.615; Smooth: 0.670

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	PROTEIN (H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN)
formula_weight	31648.3 kDa
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,D
atom_count	10204

GPHSLRYFVTAVSRPGLGEPRYMEVGYVDDTEFVRFDSDAENPRYEPRARWMEQEGPEYWERETQKAKGNEQSFRVDLRTLLGYYNQSKGGSHTIQVISGCEVGSDGRLLRGYQQYAYDGCDYIALNEDLKTWTAADMAALITKHKWEQAGEAERLRAYLEGTCVEWLRRYLKNGNATLLRTDSPKAHVTHHSRPEDKVTLRCWALGFYPADITLTWQLNGEELIQDMELVETRPAGDGTFQKWASVVVPLGKEQYYTCHVYHQGLPEPLTLRW

Entity 2 polymer

description	PROTEIN (BETA-2-MICROGLOBULIN )
formula_weight	11704.4 kDa
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,E

IQKTPQIQVYSRHPPENGKPNILNCYVTQFHPPHIEIQMLKNGKKIPKVEMSDMSFSKDWSFYILAHTEFTPTETDTYACRVKHDSMAEPKTVYWDRDM

Entity 3 polymer

description	PROTEIN (VSV8)
formula_weight	956.1 kDa
src_method	syn
entity_count	2

Polymer

type	polypeptide(L)
strand_id	C,F

RGYVYQGL

Entity 4 polymer

description	PROTEIN (CD8A OR LYT2 OR LYT-2)
formula_weight	14512.6 kDa
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	G,H,I,K

KPQAPELRIFPKKMDAELGQKVDLVCEVLGSVSQGCSWLFQNSSSKLPQPTFVVYMASSHNKITWDEKLNSSKLFSAMRDTNNKYVLTLNKFSKENEGYYFCSVISNSVMYFSSVVPVLQKVSSADLVP

Source

organism	Mus musculus
common_name	house mouse
ncbi_taxonomy_id	10090
host_organism	Mus musculus

Entity 5 non-polymer

description	2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	221.2 kDa
src_method	man
entity_count	4

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6. Citations (1)

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length_a	85.900 Å
length_b	98.400 Å
length_c	170.600 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.800 Å
resolution_low	15.000 Å
r_factor	0.2120
r_work	0.2120
r_free	0.2960

fit	/app/data/saxs_computation/bq/1bqh/1bqh.fit
pddf	/app/data/pr_computation/bq/1bqh/1bqh.pr.out
profile	/app/data/saxs_computation/bq/1bqh/1bqh.dat

MURINE CD8AA ECTODOMAIN FRAGMENT IN COMPLEX WITH H-2KB/VSV8

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 polymer

Polymer

Entity 4 polymer

Polymer

Source

Entity 5 non-polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)