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1bp1

CRYSTAL STRUCTURE OF BPI, THE HUMAN BACTERICIDAL PERMEABILITY-INCREASING PROTEIN

Method: X-RAY DIFFRACTION D_max: 132.1 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bp1
deposition_date	1997-04-08
title	CRYSTAL STRUCTURE OF BPI, THE HUMAN BACTERICIDAL PERMEABILITY-INCREASING PROTEIN
keywords	BACTERICIDAL, PERMEABILITY-INCREASING, LIPID-BINDING, LIPOPOLYSACCHARIDE-BINDING, ANTIBIOTIC; BACTERICIDAL
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	34.37 Å
rg_electron	35.32 Å
i0	37323100.00
molecular_weight	51576.0 kDa
excluded_volume	66033 Å³
envelope_volume	84495 Å³
shell_volume	24054 Å³
envelope_diameter	138.2 Å
shell_rg	33.95 Å
envelope_rg	36.46 Å
shape_rg	35.36 Å
total_rg	35.04 Å
total_atoms	3629
n_residues	456
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	132.1 Å
rg_real	35.10 Å
rg_real_error	2.03 Å
i0_real	3.7320e+07
i0_real_error	8.2570e+05
rg_reciprocal	34.64 Å
i0_reciprocal	37310000.0000
total_estimate	0.6617
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	23.0 Å
skewness	0.751
kurtosis	-0.067
angular_range	— – 0.2300 Å⁻¹
current_alpha	0.0000
highest_alpha	10770000.0000
n_real_points	47
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.212; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.101; Smooth: 0.860

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	BACTERICIDAL/PERMEABILITY-INCREASING PROTEIN
formula_weight	50703.7 kDa
mutation	S351A
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3677

VNPGVVVRISQKGLDYASQQGTAALQKELKRIKIPDYSDSFKIKHLGKGHYSFYSMDIREFQLPSSQISMVPNVGLKFSISNANIKISGKWKAQKRFLKMSGNFDLSIEGMSISADLKLGSNPTSGKPTITCSSCSSHINSVHVHISKSKVGWLIQLFHKKIESALRNKMNSQVCEKVTNSVSSKLQPYFQTLPVMTKIDSVAGINYGLVAPPATTAETLDVQMKGEFYSENHHNPPPFAPPVMEFPAAHDRMVYLGLSDYFFNTAGLVYQEAGVLKMTLRDDMIPKESKFRLTTKFFGTFLPEVAKKFPNMKIQIHVSASTPPHLSVQPTGLTFYPAVDVQAFAVLPNSALASLFLIGMHTTGSMEVSAESNRLVGELKLDRLLLELKHSNIGPFPVELLQDIMNYIVPILVLPRVNEKLQKGFPLPTPARVQLYNVVLQPHQNFLLFGADVVYK

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Cricetulus griseus

Entity 2 non-polymer

description	1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE
formula_weight	790.1 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	48

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6. Citations (2)

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length_a	185.600 Å
length_b	33.000 Å
length_c	85.200 Å
angle_alpha	90.00 °
angle_beta	101.60 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.400 Å
resolution_low	50.000 Å
r_factor	0.2250
r_work	0.2250
r_free	0.2950

fit	/app/data/saxs_computation/bp/1bp1/1bp1.fit
pddf	/app/data/pr_computation/bp/1bp1/1bp1.pr.out
profile	/app/data/saxs_computation/bp/1bp1/1bp1.dat

CRYSTAL STRUCTURE OF BPI, THE HUMAN BACTERICIDAL PERMEABILITY-INCREASING PROTEIN

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