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1eey

Crystal Structure Determination Of HLA A2 Complexed to Peptide GP2 with the substitution (I2L/V5L/L9V)

Method: X-RAY DIFFRACTION D_max: 133.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eey
deposition_date	2000-02-04
title	Crystal Structure Determination Of HLA A2 Complexed to Peptide GP2 with the substitution (I2L/V5L/L9V)
keywords	major histicompatibility complex, peptide binding, IMMUNE SYSTEM; IMMUNE SYSTEM
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	40.29 Å
rg_electron	40.20 Å
i0	128707000.00
molecular_weight	89091.0 kDa
excluded_volume	110010 Å³
envelope_volume	154230 Å³
shell_volume	33187 Å³
envelope_diameter	133.2 Å
shell_rg	43.78 Å
envelope_rg	39.13 Å
shape_rg	40.20 Å
total_rg	40.41 Å
total_atoms	6292
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	133.8 Å
rg_real	40.52 Å
rg_real_error	1.52 Å
i0_real	1.2870e+08
i0_real_error	2.4570e+06
rg_reciprocal	40.29 Å
i0_reciprocal	128700000.0000
total_estimate	0.8192
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	30.9 Å
skewness	0.340
kurtosis	-0.835
angular_range	— – 0.1950 Å⁻¹
current_alpha	0.0000
highest_alpha	9434000.0000
n_real_points	40
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.740; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.568; Smooth: 0.857

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	HLA-A2.1 MHC CLASS I (HEAVY CHAIN)
formula_weight	31854.2 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,D
atom_count	6435

GSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDGETRKVKAHSQTHRVDLGTLRGYYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQTTKHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWE

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	BETA-2-MICROGLOBULIN (LIGHT CHAIN)
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	GP2 PEPTIDE
formula_weight	884.1 kDa
mutation	I2L,V5L,L9V
src_method	syn
entity_count	2

Polymer

type	polypeptide(L)
strand_id	C,F

ILSALVGIV

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	143

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6. Citations (2)

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length_a	49.950 Å
length_b	62.930 Å
length_c	74.650 Å
angle_alpha	82.07 °
angle_beta	76.50 °
angle_gamma	78.04 °
z_pdb	2

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	2.250 Å
resolution_low	50.000 Å
r_factor	0.2480
r_work	0.2480
r_free	0.2860

fit	/app/data/saxs_computation/ee/1eey/1eey.fit
pddf	/app/data/pr_computation/ee/1eey/1eey.pr.out
profile	/app/data/saxs_computation/ee/1eey/1eey.dat

Crystal Structure Determination Of HLA A2 Complexed to Peptide GP2 with the substitution (I2L/V5L/L9V)

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)