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9upt

Structure of AtBgl1A, a GH1 beta-Glucosidase from Acetivibrio thermocellus

Method: X-RAY DIFFRACTION D_max: 68.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9upt
deposition_date	2025-04-29
title	Structure of AtBgl1A, a GH1 beta-Glucosidase from Acetivibrio thermocellus
keywords	beta-Glucosidase, GH1, Acetivibrio thermocellus, 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	22.27 Å
rg_electron	20.98 Å
i0	40801500.00
molecular_weight	51415.0 kDa
excluded_volume	64976 Å³
envelope_volume	73422 Å³
shell_volume	27763 Å³
envelope_diameter	68.9 Å
shell_rg	29.02 Å
envelope_rg	21.30 Å
shape_rg	20.93 Å
total_rg	22.10 Å
total_atoms	7209
n_residues	447
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	68.4 Å
rg_real	22.10 Å
rg_real_error	0.31 Å
i0_real	4.0800e+07
i0_real_error	4.8000e+05
rg_reciprocal	22.14 Å
i0_reciprocal	40800000.0000
total_estimate	0.8985
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	29.0 Å
skewness	0.077
kurtosis	-0.494
angular_range	— – 0.3550 Å⁻¹
current_alpha	0.0000
highest_alpha	12650000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.902; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.972; Smooth: 0.998

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Beta-glucosidase A
formula_weight	53849.7 kDa
ec_number	3.2.1.21
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	7264

MGSSHHHHHHSSGLVPRGSHMMSKITFPKDFIWGSATAAYQIEGAYNEDGKGESIWDRFSHTPGNIADGHTGDVACDHYHRYEEDIKIMKEIGIKSYRFSISWPRIFPEGTGKLNQKGLDFYKRLTNLLLENGIMPAITLYHWDLPQKLQDKGGWKNRDTTDYFTEYSEVIFKNLGDIVPIWFTHNEPGVVSLLGHFLGIHAPGIKDLRTSLEVSHNLLLSHGKAVKLFREMNIDAQIGIALNLSYHYPASEKAEDIEAAELSFSLAGRWYLDPVLKGRYPENALKLYKKKGIELSFPEDDLKLISQPIDFIAFNNYSSEFIKYDPSSESGFSPANSILEKFEKTDMGWIIYPEGLYDLLMLLDRDYGKPNIVISENGAAFKDEIGSNGKIEDTKRIQYLKDYLTQAHRAIQDGVNLKAYYLWSLLDNFEWAYGYNKRFGIVHVNFDTLERKIKDSGYWYKEVIKNNGF

Source

organism	Acetivibrio thermocellus ATCC 27405
ncbi_taxonomy_id	203119
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	55

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6. Citations (1)

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length_a	158.270 Å
length_b	158.270 Å
length_c	53.962 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 6
int_tables_number	168
crystal_system	—

resolution	2.369 Å
resolution_low	79.260 Å
r_factor	—
r_work	0.1727
r_free	0.2150

fit	/app/data/saxs_computation/up/9upt/9upt.fit
pddf	/app/data/pr_computation/up/9upt/9upt.pr.out
profile	/app/data/saxs_computation/up/9upt/9upt.dat

Structure of AtBgl1A, a GH1 beta-Glucosidase from Acetivibrio thermocellus

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