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1b0r

CRYSTAL STRUCTURE OF HLA-A*0201 COMPLEXED WITH A PEPTIDE WITH THE CARBOXYL-TERMINAL GROUP SUBSTITUTED BY A METHYL GROUP

Method: X-RAY DIFFRACTION D_max: 74.2 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b0r
deposition_date	1998-11-12
title	CRYSTAL STRUCTURE OF HLA-A*0201 COMPLEXED WITH A PEPTIDE WITH THE CARBOXYL-TERMINAL GROUP SUBSTITUTED BY A METHYL GROUP
keywords	HLA-A2, ANTIGENIC PEPTIDES, CLASS I MHC MOLECULES, HLA-A2 COMPLEXES, HYDROGEN BONDS, PROTEIN STRUCTURE, SIGNALING PROTEIN; SIGNALING PROTEIN
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	23.67 Å
rg_electron	22.53 Å
i0	34132800.00
molecular_weight	43738.0 kDa
excluded_volume	54111 Å³
envelope_volume	65303 Å³
shell_volume	24182 Å³
envelope_diameter	76.0 Å
shell_rg	29.30 Å
envelope_rg	22.69 Å
shape_rg	22.50 Å
total_rg	23.41 Å
total_atoms	3090
n_residues	375
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	74.2 Å
rg_real	23.60 Å
rg_real_error	0.39 Å
i0_real	3.4130e+07
i0_real_error	3.9860e+05
rg_reciprocal	23.62 Å
i0_reciprocal	34130000.0000
total_estimate	0.7434
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	30.2 Å
skewness	0.229
kurtosis	-0.463
angular_range	— – 0.3350 Å⁻¹
current_alpha	0.0001
highest_alpha	8128000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.940; Stabil: 1.000; Sysdev: 0.286; Positv: 1.000; Valcen: 1.000; Smooth: 0.984

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PROTEIN (HLA-A*0201)
formula_weight	31854.2 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3090

GSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDGETRKVKAHSQTHRVDLGTLRGYYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQTTKHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWE

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	PROTEIN (HLA-A*0201)
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	PROTEIN (INFLUENZA MATRIX PEPTIDE)
formula_weight	922.2 kDa
mutation	NON
src_method	syn
entity_count	1

Polymer

type	polypeptide(L)
strand_id	C

GILGFVFTX

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6. Citations (1)

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length_a	49.600 Å
length_b	74.400 Å
length_c	121.400 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.900 Å
resolution_low	6.000 Å
r_factor	0.2530
r_work	0.2530
r_free	0.3140

fit	/app/data/saxs_computation/b0/1b0r/1b0r.fit
pddf	/app/data/pr_computation/b0/1b0r/1b0r.pr.out
profile	/app/data/saxs_computation/b0/1b0r/1b0r.dat

CRYSTAL STRUCTURE OF HLA-A*0201 COMPLEXED WITH A PEPTIDE WITH THE CARBOXYL-TERMINAL GROUP SUBSTITUTED BY A METHYL GROUP

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 polymer

Polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)