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1bii

THE CRYSTAL STRUCTURE OF H-2DD MHC CLASS I IN COMPLEX WITH THE HIV-1 DERIVED PEPTIDE P18-110

Method: X-RAY DIFFRACTION D_max: 73.9 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bii
deposition_date	1998-06-11
title	THE CRYSTAL STRUCTURE OF H-2DD MHC CLASS I IN COMPLEX WITH THE HIV-1 DERIVED PEPTIDE P18-110
keywords	COMPLEX (MHC I-PEPTIDE), MAJOR HISTOCOMPATIBILITY COMPLEX CLASS I DD, TRANSMEMBRANE, GLYCOPROTEIN, COMPLEX (MHC I-PEPTIDE) complex; COMPLEX (MHC 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	23.92 Å
rg_electron	22.96 Å
i0	35613400.00
molecular_weight	44572.0 kDa
excluded_volume	55140 Å³
envelope_volume	67820 Å³
shell_volume	24634 Å³
envelope_diameter	75.1 Å
shell_rg	29.86 Å
envelope_rg	23.06 Å
shape_rg	22.94 Å
total_rg	23.85 Å
total_atoms	3145
n_residues	383
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	73.9 Å
rg_real	23.84 Å
rg_real_error	0.45 Å
i0_real	3.5610e+07
i0_real_error	4.8690e+05
rg_reciprocal	23.86 Å
i0_reciprocal	35610000.0000
total_estimate	0.9130
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	30.0 Å
skewness	0.221
kurtosis	-0.502
angular_range	— – 0.3300 Å⁻¹
current_alpha	0.0000
highest_alpha	8885000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.957; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.993

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	MHC CLASS I H-2DD
formula_weight	41162.3 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3210

MGAMAPRTLLLLLAAALGPTQTRAGSHSLRYFVTAVSRPGFGEPRYMEVGYVDNTEFVRFDSDAENPRYEPRARWIEQEGPEYWERETRRAKGNEQSFRVDLRTALRYYNQSAGGSHTLQWMAGCDVESDGRLLRGYWQFAYDGCDYIALNEDLKTWTAADMAAQITRRKWEQAGAAERDRAYLEGECVEWLRRYLKNGNATLLRTDPPKAHVTHHRRPEGDVTLRCWALGFYPADITLTWQLNGEELTQEMELVETRPAGDGTFQKWASVVVPLGKEQKYTCHVEHEGLPEPLTLRWGKEEPPSSTKTNTVIIAVPVVLGAVVILGAVMAFVMKRRRNTGGKGGDYALAPGSQSSDMSLPDCKV

Source

organism	Mus musculus
common_name	house mouse
ncbi_taxonomy_id	10090
host_organism	Escherichia coli

Entity 2 polymer

description	BETA-2 MICROGLOBULIN
formula_weight	13841.0 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

MARSVTLVFLVLVSLTGLYAIQKTPQIQVYSRHPPENGKPNILNCYVTQFHPPHIEIQMLKNGKKIPKVEMSDMSFSKDWSFYILAHTEFTPTETDTYACRVKHDSMAEPKTVYWDRDM

Source

organism	Mus musculus
common_name	house mouse
ncbi_taxonomy_id	10090
host_organism	Escherichia coli

Entity 3 polymer

description	DECAMERIC PEPTIDE
formula_weight	1075.3 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	P

RGPGRAFVTI

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	65

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6. Citations (2)

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length_a	51.260 Å
length_b	92.530 Å
length_c	108.780 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	2.400 Å
resolution_low	6.000 Å
r_factor	—
r_work	0.2780
r_free	0.3230

fit	/app/data/saxs_computation/bi/1bii/1bii.fit
pddf	/app/data/pr_computation/bi/1bii/1bii.pr.out
profile	/app/data/saxs_computation/bi/1bii/1bii.dat

THE CRYSTAL STRUCTURE OF H-2DD MHC CLASS I IN COMPLEX WITH THE HIV-1 DERIVED PEPTIDE P18-110

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 (2)

7. Files & Curves (10)

Files (7)

Curves (3)