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1b0g

CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A2.1)/BETA 2-MICROGLOBULIN/PEPTIDE P1049 COMPLEX

Method: X-RAY DIFFRACTION D_max: 133.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b0g
deposition_date	1998-11-09
title	CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A2.1)/BETA 2-MICROGLOBULIN/PEPTIDE P1049 COMPLEX
keywords	CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A2.1)-BETA 2-MICROGLOBULIN-PEPTIDE P1049 COMPLEX, HISTOCOMPATIBILITY ANTIGEN; HISTOCOMPATIBILITY ANTIGEN
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	40.31 Å
rg_electron	40.23 Å
i0	129023000.00
molecular_weight	89422.0 kDa
excluded_volume	110450 Å³
envelope_volume	152890 Å³
shell_volume	32878 Å³
envelope_diameter	132.7 Å
shell_rg	43.81 Å
envelope_rg	39.08 Å
shape_rg	40.23 Å
total_rg	40.42 Å
total_atoms	6320
n_residues	768
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	133.9 Å
rg_real	40.54 Å
rg_real_error	1.90 Å
i0_real	1.2900e+08
i0_real_error	2.5220e+06
rg_reciprocal	40.31 Å
i0_reciprocal	129000000.0000
total_estimate	0.8174
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	30.9 Å
skewness	0.338
kurtosis	-0.838
angular_range	— – 0.1950 Å⁻¹
current_alpha	0.0000
highest_alpha	9039000.0000
n_real_points	40
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.738; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.561; Smooth: 0.847

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	CLASS I HISTOCOMPATIBILITY ANTIGEN
formula_weight	31854.2 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,D
atom_count	6370

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	PEPTIDE P1049 (ALWGFFPVL)
formula_weight	1049.3 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	C,F

ALWGFFPVL

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	50

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6. Citations (1)

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length_a	50.090 Å
length_b	62.890 Å
length_c	74.680 Å
angle_alpha	81.98 °
angle_beta	76.18 °
angle_gamma	77.86 °
z_pdb	2

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	2.500 Å
resolution_low	30.000 Å
r_factor	0.2600
r_work	0.2550
r_free	0.3040

fit	/app/data/saxs_computation/b0/1b0g/1b0g.fit
pddf	/app/data/pr_computation/b0/1b0g/1b0g.pr.out
profile	/app/data/saxs_computation/b0/1b0g/1b0g.dat

CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A2.1)/BETA 2-MICROGLOBULIN/PEPTIDE P1049 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)