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1ay2

STRUCTURE OF THE FIBER-FORMING PROTEIN PILIN AT 2.6 ANGSTROMS RESOLUTION

Method: X-RAY DIFFRACTION D_max: 51.8 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ay2
deposition_date	1997-11-13
title	STRUCTURE OF THE FIBER-FORMING PROTEIN PILIN AT 2.6 ANGSTROMS RESOLUTION
keywords	TYPE IV PILIN, FIBER-FORMING PROTEIN, MEMBRANE PROTEIN, DNA INDING PROTEIN, CONTRACTILE PROTEIN, CELL ADHESION; CELL ADHESION
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	19.55 Å
rg_electron	21.60 Å
i0	6107940.00
molecular_weight	17881.0 kDa
excluded_volume	22258 Å³
envelope_volume	27590 Å³
shell_volume	13154 Å³
envelope_diameter	94.2 Å
shell_rg	23.30 Å
envelope_rg	24.80 Å
shape_rg	21.45 Å
total_rg	22.29 Å
total_atoms	1244
n_residues	158
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	51.8 Å
rg_real	17.21 Å
rg_real_error	0.11 Å
i0_real	5.7340e+06
i0_real_error	5.8040e+04
rg_reciprocal	20.29 Å
i0_reciprocal	6107000.0000
total_estimate	0.6780
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	19.7 Å
skewness	0.420
kurtosis	-0.232
angular_range	— – 0.4050 Å⁻¹
current_alpha	2.0430
highest_alpha	832200.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.041; Oscil: 0.952; Stabil: 0.990; Sysdev: 0.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	TYPE 4 PILIN
formula_weight	17192.5 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1373

FTLIELMIVIAIVGILAAVALPAYQDYTARAQVSEAILLAEGQKSAVTEYYLNHGKWPENNTSAGVASPPSDIKGKYVKEVEVKNGVVTATMLSSGVNNEIKGKKLSLWARRENGSVKWFCGQPVTRTDDDTVADAKDGKEIDTKHLPSTCRDNFDAK

Entity 2 branched

description	alpha-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	383.3 kDa
src_method	man
entity_count	1

Entity 3 non-polymer

description	PLATINUM (II) ION
formula_weight	195.1 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	HEPTANE-1,2,3-TRIOL
formula_weight	148.2 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	129

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6. Citations (1)

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length_a	127.580 Å
length_b	121.080 Å
length_c	26.860 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 2 2 2
int_tables_number	21
crystal_system	—

resolution	2.600 Å
resolution_low	10.000 Å
r_factor	0.1940
r_work	0.1940
r_free	—

fit	/app/data/saxs_computation/ay/1ay2/1ay2.fit
pddf	/app/data/pr_computation/ay/1ay2/1ay2.pr.out
profile	/app/data/saxs_computation/ay/1ay2/1ay2.dat

STRUCTURE OF THE FIBER-FORMING PROTEIN PILIN AT 2.6 ANGSTROMS RESOLUTION

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