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1aq0

BARLEY 1,3-1,4-BETA-GLUCANASE IN MONOCLINIC SPACE GROUP

Method: X-RAY DIFFRACTION D_max: 88.3 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1aq0
deposition_date	1997-08-05
title	BARLEY 1,3-1,4-BETA-GLUCANASE IN MONOCLINIC SPACE GROUP
keywords	HYDROLASE, GLYCOSIDASE, GLYCOPROTEIN, GLYCOSYLATED PROTEIN; 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	28.25 Å
rg_electron	27.41 Å
i0	69197700.00
molecular_weight	65180.0 kDa
excluded_volume	81442 Å³
envelope_volume	99146 Å³
shell_volume	30210 Å³
envelope_diameter	92.5 Å
shell_rg	34.81 Å
envelope_rg	27.25 Å
shape_rg	27.38 Å
total_rg	28.23 Å
total_atoms	4592
n_residues	612
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	88.3 Å
rg_real	28.24 Å
rg_real_error	0.51 Å
i0_real	6.9200e+07
i0_real_error	9.4280e+05
rg_reciprocal	28.25 Å
i0_reciprocal	69200000.0000
total_estimate	0.9043
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	31.5 Å
skewness	0.299
kurtosis	-0.554
angular_range	— – 0.2800 Å⁻¹
current_alpha	0.0000
highest_alpha	23320000.0000
n_real_points	57
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.947; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.985; Smooth: 0.924

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	1,3-1,4-BETA-GLUCANASE
formula_weight	32141.3 kDa
ec_number	3.2.1.73
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	5023

IGVCYGMSANNLPAASTVVSMFKSNGIKSMRLYAPNQAALQAVGGTGINVVVGAPNDVLSNLAASPAAAASWVKSNIQAYPKVSFRYVCVGNEVAGGATRNLVPAMKNVHGALVAAGLGHIKVTTSVSQAILGVFSPPSAGSFTGEAAAFMGPVVQFLARTNAPLMANIYPYLAWAYNPSAMDMGYALFNASGTVVRDGAYGYQNLFDTTVDAFYTAMGKHGGSSVKLVVSESGWPSGGGTAATPANARFYNQHLINHVGRGTPRHPGAIETYIFAMFNENQKDSGVEQNWGLFYPNMQHVYPINF

Entity 2 branched

description	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	424.4 kDa
src_method	man
entity_count	2

Entity 3 non-polymer

description	ACETATE ION
formula_weight	59.0 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	418

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6. Citations (3)

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length_a	49.580 Å
length_b	82.990 Å
length_c	77.560 Å
angle_alpha	90.00 °
angle_beta	104.36 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.000 Å
resolution_low	13.600 Å
r_factor	0.1700
r_work	0.1700
r_free	0.2130

fit	/app/data/saxs_computation/aq/1aq0/1aq0.fit
pddf	/app/data/pr_computation/aq/1aq0/1aq0.pr.out
profile	/app/data/saxs_computation/aq/1aq0/1aq0.dat

BARLEY 1,3-1,4-BETA-GLUCANASE IN MONOCLINIC SPACE GROUP

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