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1b1y

SEVENFOLD MUTANT OF BARLEY BETA-AMYLASE

Method: X-RAY DIFFRACTION D_max: 74.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b1y
deposition_date	1998-11-25
title	SEVENFOLD MUTANT OF BARLEY BETA-AMYLASE
keywords	HYDROLASE(O-GLYCOSYL), HYDROLASE; HYDROLASE
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	23.20 Å
rg_electron	21.95 Å
i0	53597800.00
molecular_weight	56768.0 kDa
excluded_volume	70746 Å³
envelope_volume	79063 Å³
shell_volume	28865 Å³
envelope_diameter	75.5 Å
shell_rg	30.03 Å
envelope_rg	22.23 Å
shape_rg	21.95 Å
total_rg	22.83 Å
total_atoms	4008
n_residues	500
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	74.5 Å
rg_real	23.06 Å
rg_real_error	0.38 Å
i0_real	5.3600e+07
i0_real_error	6.5110e+05
rg_reciprocal	23.10 Å
i0_reciprocal	53600000.0000
total_estimate	0.8885
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	28.7 Å
skewness	0.178
kurtosis	-0.404
angular_range	— – 0.3400 Å⁻¹
current_alpha	0.0000
highest_alpha	14180000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.858; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.979

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (BETA-AMYLASE)
formula_weight	56317.3 kDa
ec_number	3.2.1.2
mutation	M185L,S295A,I297V,S350P,S351P,Q352D,A376S
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4148

MKGNYVQVYVMLPLDAVSVNNRFEKGDELRAQLRKLVEAGVDGVMVDVWWGLVEGKGPKAYDWSAYKQLFELVQKAGLKLQAIMSFHQCGGNVGDAVNIPIPQWVRDVGTRDPDIFYTDGHGTRNIEYLTLGVDNQPLFHGRSAVQMYADYMTSFRENMKDFLDAGVIVDIEVGLGPAGELRYPSYPQSHGWSFPGIGEFICYDKYLQADFKAAAAAVGHPEWEFPNDAGQYNDTPERTQFFRDNGTYLSEKGRFFLAWYSNNLIKHGDRILDEANKVFLGYKVQLAIKIAGVHWWYKVPSHAAELTAGYYNLHDRDGYRTIARMLKRHRASINFTCAEMRDSEQPPDAMSAPEELVQQVLSAGWREGLNVSCENALPRYDPTAYNTILRNARPHGINQSGPPEHKLFGFTYLRLSNQLVEGQNYVNFKTFVDRMHANLPRDPYVDPMAPLPRSGPEISIEMILQAAQPKIQPFPFQEHTDLPVGPTGGMGGQAEGPTCG

Source

organism	Hordeum vulgare
ncbi_taxonomy_id	4513
host_organism	Escherichia coli

Entity 2 branched

description	alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose
formula_weight	342.3 kDa
src_method	nat
entity_count	1

Entity 3 non-polymer

description	beta-D-glucopyranose
formula_weight	180.2 kDa
src_method	nat
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	140

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6. Citations (2)

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length_a	72.110 Å
length_b	72.110 Å
length_c	250.510 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

resolution	2.500 Å
resolution_low	10.000 Å
r_factor	0.1870
r_work	0.1870
r_free	0.2560

fit	/app/data/saxs_computation/b1/1b1y/1b1y.fit
pddf	/app/data/pr_computation/b1/1b1y/1b1y.pr.out
profile	/app/data/saxs_computation/b1/1b1y/1b1y.dat

SEVENFOLD MUTANT OF BARLEY BETA-AMYLASE

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