← Back to search

1duy

CRYSTAL STRUCTURE OF HLA-A*0201/OCTAMERIC TAX PEPTIDE COMPLEX

Method: X-RAY DIFFRACTION D_max: 131.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1duy
deposition_date	2000-01-19
title	CRYSTAL STRUCTURE OF HLA-A*0201/OCTAMERIC TAX PEPTIDE COMPLEX
keywords	Immunoglobulin fold, IMMUNE SYSTEM; IMMUNE SYSTEM
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	38.81 Å
rg_electron	38.67 Å
i0	130124000.00
molecular_weight	89237.0 kDa
excluded_volume	110180 Å³
envelope_volume	153250 Å³
shell_volume	34170 Å³
envelope_diameter	134.9 Å
shell_rg	42.54 Å
envelope_rg	38.09 Å
shape_rg	38.65 Å
total_rg	39.00 Å
total_atoms	6306
n_residues	766
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

▼

3. P(r) Analysis (GNOM)

dmax	131.9 Å
rg_real	39.16 Å
rg_real_error	1.25 Å
i0_real	1.3010e+08
i0_real_error	2.4520e+06
rg_reciprocal	38.95 Å
i0_reciprocal	130100000.0000
total_estimate	0.8351
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	32.2 Å
skewness	0.394
kurtosis	-0.637
angular_range	— – 0.2050 Å⁻¹
current_alpha	0.0000
highest_alpha	9927000.0000
n_real_points	42
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.782; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.746; Smooth: 0.761

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

Entity 1 polymer

description	HLA-A2*0201
formula_weight	31854.2 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,D
atom_count	6801

GSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDGETRKVKAHSQTHRVDLGTLRGYYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQTTKHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWE

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	BETA-2 MICROGLOBULIN
formula_weight	11879.4 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,E

MIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 3 polymer

description	HTLV-1 OCTAMERIC TAX PEPTIDE
formula_weight	957.1 kDa
src_method	syn
entity_count	2

Polymer

type	polypeptide(L)
strand_id	C,F

LFGYPVYV

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	495

▶

6. Citations (1)

▶

length_a	50.340 Å
length_b	62.860 Å
length_c	74.840 Å
angle_alpha	82.01 °
angle_beta	76.10 °
angle_gamma	77.96 °
z_pdb	2

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	2.150 Å
resolution_low	50.000 Å
r_factor	0.1980
r_work	0.1920
r_free	0.2540

fit	/app/data/saxs_computation/du/1duy/1duy.fit
pddf	/app/data/pr_computation/du/1duy/1duy.pr.out
profile	/app/data/saxs_computation/du/1duy/1duy.dat

CRYSTAL STRUCTURE OF HLA-A*0201/OCTAMERIC TAX PEPTIDE 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 (4)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 polymer

Polymer

Entity 4 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)