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1ewf

THE 1.7 ANGSTROM CRYSTAL STRUCTURE OF BPI

Method: X-RAY DIFFRACTION D_max: 128.8 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ewf
deposition_date	2000-04-25
title	THE 1.7 ANGSTROM CRYSTAL STRUCTURE OF BPI
keywords	BACTERICIDAL, PERMEABILITY-INCREASING, LIPID-BINDING, LIPOPOLYSACCHARIDE-BINDING, ANTIBIOTIC; ANTIBIOTIC
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	34.22 Å
rg_electron	35.21 Å
i0	37079000.00
molecular_weight	51393.0 kDa
excluded_volume	65781 Å³
envelope_volume	82000 Å³
shell_volume	23736 Å³
envelope_diameter	137.0 Å
shell_rg	33.57 Å
envelope_rg	35.98 Å
shape_rg	35.25 Å
total_rg	34.96 Å
total_atoms	3618
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	128.8 Å
rg_real	34.94 Å
rg_real_error	1.59 Å
i0_real	3.7080e+07
i0_real_error	5.6740e+05
rg_reciprocal	34.49 Å
i0_reciprocal	37060000.0000
total_estimate	0.6569
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	25.2 Å
skewness	0.757
kurtosis	-0.055
angular_range	— – 0.2300 Å⁻¹
current_alpha	0.0000
highest_alpha	9647000.0000
n_real_points	47
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.244; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.127; Smooth: 0.677

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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	50703.6 kDa
mutation	S351A
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4147

VNPGVVVRISQKGLDYASQQGTAALQKELKRIKIPDYSDSFKIKHLGKGHYSFYSMDIREFQLPSSQISMVPNVGLKFSISNANIKISGKWKAQKRFLKMSGNFDLSIEGMSISADLKLGSNPTSGKPTITCSSCSSHINSVHVHISKSKVGWLIQLFHKKIESALRNKMNSQVCEKVTNSVSSELQPYFQTLPVMTKIDSVAGINYGLVAPPATTAETLDVQMKGEFYSENHHNPPPFAPPVMEFPAAHDRMVYLGLSDYFFNTAGLVYQEAGVLKMTLRDDMIPKESKFRLTTKFFGTFLPEVAKKFPNMKIQIHVSASTPPHLSVQPTGLTFYPAVDVQAFAVLPNSALASLFLIGMHTTGSMEVSAESNRLVGELKLDRLLLELKHSNIGPFPVELLQDIMNYIVPILVLPRVNEKLQKGFPLPTPARVQLYNVVLQPHQNFLLFGADVVYK

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	387

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6. Citations (2)

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length_a	184.320 Å
length_b	31.230 Å
length_c	80.660 Å
angle_alpha	90.00 °
angle_beta	103.20 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.700 Å
resolution_low	50.000 Å
r_factor	—
r_work	0.1980
r_free	0.2500

fit	/app/data/saxs_computation/ew/1ewf/1ewf.fit
pddf	/app/data/pr_computation/ew/1ewf/1ewf.pr.out
profile	/app/data/saxs_computation/ew/1ewf/1ewf.dat

THE 1.7 ANGSTROM CRYSTAL STRUCTURE OF BPI

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