CRYSTAL STRUCTURE OF THE E. COLI TOLB PROTEIN

Method: X-RAY DIFFRACTION D_max: 79.1 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1crz
deposition_date	1999-08-16
title	CRYSTAL STRUCTURE OF THE E. COLI TOLB PROTEIN
keywords	TWO DOMAINS: BETA PROPELLER AND ALPHA/BETA FOLD, TOXIN BINDING PROTEIN; TOXIN BINDING 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	23.18 Å
rg_electron	22.29 Å
i0	33805700.00
molecular_weight	43177.0 kDa
excluded_volume	53281 Å³
envelope_volume	61303 Å³
shell_volume	23412 Å³
envelope_diameter	80.7 Å
shell_rg	28.87 Å
envelope_rg	22.53 Å
shape_rg	22.29 Å
total_rg	23.07 Å
total_atoms	3030
n_residues	397
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	79.1 Å
rg_real	23.18 Å
rg_real_error	0.51 Å
i0_real	3.3810e+07
i0_real_error	4.4720e+05
rg_reciprocal	23.18 Å
i0_reciprocal	33810000.0000
total_estimate	0.7131
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	26.8 Å
skewness	0.384
kurtosis	-0.296
angular_range	— – 0.3450 Å⁻¹
current_alpha	0.0000
highest_alpha	8096000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.799; Stabil: 1.000; Sysdev: 0.307; Positv: 1.000; Valcen: 0.972; Smooth: 0.977

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (2)

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length_a	63.180 Å
length_b	40.500 Å
length_c	76.300 Å
angle_alpha	90.00 °
angle_beta	110.88 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.950 Å
resolution_low	20.000 Å
r_factor	0.1880
r_work	0.2380
r_free	0.2380

description	TOLB PROTEIN
formula_weight	43207.9 kDa
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	3488

CRYSTAL STRUCTURE OF THE E. COLI TOLB 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

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	458

fit	/app/data/saxs_computation/cr/1crz/1crz.fit
pddf	/app/data/pr_computation/cr/1crz/1crz.pr.out
profile	/app/data/saxs_computation/cr/1crz/1crz.dat