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1cwv

CRYSTAL STRUCTURE OF INVASIN: A BACTERIAL INTEGRIN-BINDING PROTEIN

Method: X-RAY DIFFRACTION D_max: 178.6 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cwv
deposition_date	1999-08-26
title	CRYSTAL STRUCTURE OF INVASIN: A BACTERIAL INTEGRIN-BINDING PROTEIN
keywords	INTEGRIN-BINDING PROTEIN, INV GENE, STRUCTURAL PROTEIN; STRUCTURAL PROTEIN
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	53.30 Å
rg_electron	54.91 Å
i0	40393400.00
molecular_weight	51215.0 kDa
excluded_volume	63855 Å³
envelope_volume	92942 Å³
shell_volume	18614 Å³
envelope_diameter	190.6 Å
shell_rg	39.42 Å
envelope_rg	55.01 Å
shape_rg	54.92 Å
total_rg	54.16 Å
total_atoms	3606
n_residues	484
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	178.6 Å
rg_real	54.50 Å
rg_real_error	2.97 Å
i0_real	4.0390e+07
i0_real_error	9.0530e+05
rg_reciprocal	52.27 Å
i0_reciprocal	40270000.0000
total_estimate	0.5469
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	23.8 Å
skewness	0.572
kurtosis	-0.683
angular_range	— – 0.1500 Å⁻¹
current_alpha	0.0000
highest_alpha	981400.0000
n_real_points	31
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.029; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.019; Smooth: 0.002

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	INVASIN
formula_weight	51939.4 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3801

SVTVQQPQLTLTAAVIGDGAPANGKTAITVEFTVADFEGKPLAGQEVVITTNNGALPNKITEKTDANGVARIALTNTTDGVTVVTAEVEGQRQSVDTHFVKGTIAADKSTLAAVPTSIIADGLMASTITLELKDTYGDPQAGANVAFDTTLGNMGVITDHNDGTYSAPLTSTTLGVATVTVKVDGAAFSVPSVTVNFTADPIPDAGRSSFTVSTPDILADGTMSSTLSFVPVDKNGHFISGMQGLSFTQNGVPVSISPITEQPDSYTATVVGNSVGDVTITPQVDTLILSTLQKKISLFPVPTLTGILVNGQNFATDKGFPKTIFKNATFQLQMDNDVANNTQYEWSSSFTPNVSVNDQGQVTITYQTYSEVAVTAKSKKFPSYSVSYRFYPNRWIYDGGRSLVSSLEASRQCQGSDMSAVLESSRATNGTRAPDGTLWGEWGSLTAYSSDWQSGEYWVKKTSTDFETMNMDTGALQPGPAYLAFPLCALSI

Source

organism	Yersinia pseudotuberculosis
ncbi_taxonomy_id	633
host_organism	Escherichia coli

Entity 2 non-polymer

description	CITRIC ACID
formula_weight	192.1 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	195

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6. Citations (1)

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length_a	61.140 Å
length_b	50.660 Å
length_c	97.920 Å
angle_alpha	90.00 °
angle_beta	98.34 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.300 Å
resolution_low	30.000 Å
r_factor	0.2240
r_work	0.2240
r_free	0.2740

fit	/app/data/saxs_computation/cw/1cwv/1cwv.fit
pddf	/app/data/pr_computation/cw/1cwv/1cwv.pr.out
profile	/app/data/saxs_computation/cw/1cwv/1cwv.dat

CRYSTAL STRUCTURE OF INVASIN: A BACTERIAL INTEGRIN-BINDING 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