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1abf

SUBSTRATE SPECIFICITY AND AFFINITY OF A PROTEIN MODULATED BY BOUND WATER MOLECULES

Method: X-RAY DIFFRACTION D_max: 68.7 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1abf
deposition_date	1992-04-23
title	SUBSTRATE SPECIFICITY AND AFFINITY OF A PROTEIN MODULATED BY BOUND WATER MOLECULES
keywords	BINDING PROTEIN; 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	20.81 Å
rg_electron	20.06 Å
i0	18572800.00
molecular_weight	33180.0 kDa
excluded_volume	41768 Å³
envelope_volume	46704 Å³
shell_volume	19884 Å³
envelope_diameter	70.2 Å
shell_rg	26.07 Å
envelope_rg	20.26 Å
shape_rg	20.02 Å
total_rg	21.00 Å
total_atoms	2325
n_residues	304
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	68.7 Å
rg_real	20.83 Å
rg_real_error	0.54 Å
i0_real	1.8570e+07
i0_real_error	2.4490e+05
rg_reciprocal	20.83 Å
i0_reciprocal	18570000.0000
total_estimate	0.6354
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	22.9 Å
skewness	0.430
kurtosis	-0.254
angular_range	— – 0.3800 Å⁻¹
current_alpha	0.0000
highest_alpha	7370000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.791; Stabil: 1.000; Sysdev: 0.301; Positv: 1.000; Valcen: 0.983; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	L-ARABINOSE-BINDING PROTEIN
formula_weight	33251.0 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2528

ENLKLGFLVKQPEEPWFQTEWKFADKAGKDLGFEVIKIAVPDGEKTLNAIDSLAASGAKGFVICTPDPKLGSAIVAKARGYDMKVIAVDDQFVNAKGKPMDTVPLVMMAATKIGERQGQELYKEMQKRGWDVKESAVMAITANELDTARRRTTGSMDALKAAGFPEKQIYQVPTKSNDIPGAFDAANSMLVQHPEVKHWLIVGMNDSTVLGGVRATEGQGFKAADIIGIGINGVDAVSELSKAQATGFYGSLLPSPDVHGYKSSEMLYNWVAKDVEPPKFTEVTDVVLITRDNFKEELEKKGLGGK

Source

organism	Escherichia coli
ncbi_taxonomy_id	562

Entity 2 non-polymer

description	alpha-D-fucopyranose
formula_weight	164.2 kDa
src_method	man
entity_count	1

Entity 3 non-polymer

description	beta-D-fucopyranose
formula_weight	164.2 kDa
src_method	man
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	191

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6. Citations (2)

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length_a	55.920 Å
length_b	72.020 Å
length_c	78.020 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.900 Å
resolution_low	10.000 Å
r_factor	0.1340
r_work	—
r_free	—

fit	/app/data/saxs_computation/ab/1abf/1abf.fit
pddf	/app/data/pr_computation/ab/1abf/1abf.pr.out
profile	/app/data/saxs_computation/ab/1abf/1abf.dat