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9w4b

Crystal structure of beta-glucosidase CaBGL

Method: X-RAY DIFFRACTION D_max: 281.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9w4b
deposition_date	2025-07-31
title	Crystal structure of beta-glucosidase CaBGL
keywords	hydrolase, CaBGL, cellulose saccharification, Caldicellulosiruptor sp. F32; 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	— Å
rg_electron	104.90 Å
i0	5343070000.00
molecular_weight	643690.0 kDa
excluded_volume	812250 Å³
envelope_volume	1292500 Å³
shell_volume	121360 Å³
envelope_diameter	365.5 Å
shell_rg	68.22 Å
envelope_rg	103.60 Å
shape_rg	104.80 Å
total_rg	104.50 Å
total_atoms	45616
n_residues	5432
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	281.8 Å
rg_real	94.19 Å
rg_real_error	1.81 Å
i0_real	5.1070e+09
i0_real_error	1.2200e+08
rg_reciprocal	88.95 Å
i0_reciprocal	5136000000.0000
total_estimate	0.8704
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	56.4 Å
skewness	0.448
kurtosis	-0.761
angular_range	— – 0.0750 Å⁻¹
current_alpha	0.5677
highest_alpha	103900000.0000
n_real_points	16
gnom_version	4.1.3
quality_criteria	AN1: 0.002; Oscil: 0.833; Stabil: 0.981; Sysdev: 1.000; Positv: 1.000; Valcen: 0.902; Smooth: 0.021

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	beta-glucosidase
formula_weight	53563.6 kDa
ec_number	3.2.1.21
src_method	man
entity_count	12

Polymer

type	polypeptide(L)
strand_id	A,B,C,D,E,F,G,H,I,J,K,L
atom_count	46367

SMSFPKGFLWGAATASYQIEGAWNEDGKGESIWDRFTHQKGNILYGHNGDIACDHYHRFEEDVLLMKELGLKAYRFSIAWTRIFPDGFGNVNQKGLEFYDRLINKLVENGIEPVITIYHWDLPQKLQDIGGWANSEIVNYYFDYAMLVINRYKDRVKYWITFNEPYCIAFLGHWHGVHAPGIKDFKVAIDVVHNIMLSHFKVVKAVKENNIDVEVGITLNLTPVYLQTERLGYKVSEIEREMVNLSSQLDNELFLDPVLKGNYPQKLFDYLVQKDLLEAQKALSMQQEVKENFIFPDFLGINYYTRAVRLYDENSSWIFPIRWEHPAGEYTEMGWEVFPQGLFDLLMWIKENYPQIPIYITENGAAYNDIVTEDGKVHDSKRIEYLKQHFDQARKAIENGVDLRGYFVWSLMDNLEWAMGYTKRFGIIYVDYETQKRIKKDSFYFYQQYIKENS

Source

organism	Caldicellulosiruptor sp.
ncbi_taxonomy_id	1981791
host_organism	Escherichia coli

Entity 2 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	12

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	24

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	751

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6. Citations (1)

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length_a	138.840 Å
length_b	221.660 Å
length_c	236.220 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	48

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.340 Å
resolution_low	28.740 Å
r_factor	0.1904
r_work	0.1883
r_free	0.2334

fit	/app/data/saxs_computation/w4/9w4b/9w4b.fit
pddf	/app/data/pr_computation/w4/9w4b/9w4b.pr.out
profile	/app/data/saxs_computation/w4/9w4b/9w4b.dat

Crystal structure of beta-glucosidase CaBGL

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