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1a9e

DECAMER-LIKE CONFORMATION OF A NANO-PEPTIDE BOUND TO HLA-B3501 DUE TO NONSTANDARD POSITIONING OF THE C-TERMINUS

Method: X-RAY DIFFRACTION D_max: 76.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a9e
deposition_date	1998-04-05
title	DECAMER-LIKE CONFORMATION OF A NANO-PEPTIDE BOUND TO HLA-B3501 DUE TO NONSTANDARD POSITIONING OF THE C-TERMINUS
keywords	MHC CLASS I, HISTOCOMPATIBILITY COMPLEX, HLA B3501, COMPLEX (MHC CLASS I-PEPTIDE), COMPLEX (MHC CLASS I-PEPTIDE) complex; COMPLEX (MHC CLASS I/PEPTIDE)
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	24.32 Å
rg_electron	23.16 Å
i0	36216600.00
molecular_weight	44814.0 kDa
excluded_volume	55361 Å³
envelope_volume	68471 Å³
shell_volume	24783 Å³
envelope_diameter	78.0 Å
shell_rg	30.00 Å
envelope_rg	23.30 Å
shape_rg	23.15 Å
total_rg	24.03 Å
total_atoms	3167
n_residues	386
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	76.0 Å
rg_real	24.26 Å
rg_real_error	0.36 Å
i0_real	3.6220e+07
i0_real_error	4.4400e+05
rg_reciprocal	24.28 Å
i0_reciprocal	36220000.0000
total_estimate	0.9101
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	28.9 Å
skewness	0.264
kurtosis	-0.464
angular_range	— – 0.3250 Å⁻¹
current_alpha	0.0000
highest_alpha	8788000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.948; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.987

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, B-35 B*3501 (ALPHA CHAIN)
formula_weight	32027.3 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3251

GSHSMRYFYTAMSRPGRGEPRFIAVGYVDDTQFVRFDSDAASPRTEPRAPWIEQEGPEYWDRNTQIFKTNTQTYRESLRNLRGYYNQSEAGSHIIQRMYGCDLGPDGRLLRGHDQSAYDGKDYIALNEDLSSWTAADTAAQITQRKWEAARVAEQLRAYLEGLCVEWLRRYLENGKETLQRADPPKTHVTHHPVSDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDRTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWEPS

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	1

Polymer

type	polypeptide(L)
strand_id	B

MIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 3 polymer

description	PEPTIDE LPPLDITPY
formula_weight	1028.2 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	C

LPPLDITPY

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	84

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6. Citations (1)

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length_a	45.510 Å
length_b	181.510 Å
length_c	141.150 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	2.500 Å
resolution_low	25.000 Å
r_factor	0.2130
r_work	0.2130
r_free	0.2600

fit	/app/data/saxs_computation/a9/1a9e/1a9e.fit
pddf	/app/data/pr_computation/a9/1a9e/1a9e.pr.out
profile	/app/data/saxs_computation/a9/1a9e/1a9e.dat

DECAMER-LIKE CONFORMATION OF A NANO-PEPTIDE BOUND TO HLA-B3501 DUE TO NONSTANDARD POSITIONING OF THE C-TERMINUS

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)