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9r4u

Crystal structure of CtGH76 from Chaetomium thermophilum in complex with isomaltose

Method: X-RAY DIFFRACTION D_max: 69.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9r4u
deposition_date	2025-05-07
title	Crystal structure of CtGH76 from Chaetomium thermophilum in complex with isomaltose
keywords	Glycoside Hydrolases, carbohydrate-binding protein, 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	20.60 Å
rg_electron	19.36 Å
i0	29702400.00
molecular_weight	40668.0 kDa
excluded_volume	50166 Å³
envelope_volume	55486 Å³
shell_volume	23123 Å³
envelope_diameter	75.1 Å
shell_rg	26.82 Å
envelope_rg	19.90 Å
shape_rg	19.36 Å
total_rg	20.23 Å
total_atoms	2862
n_residues	362
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	69.0 Å
rg_real	20.46 Å
rg_real_error	0.47 Å
i0_real	2.9700e+07
i0_real_error	3.6280e+05
rg_reciprocal	20.49 Å
i0_reciprocal	29700000.0000
total_estimate	0.7856
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	27.0 Å
skewness	0.151
kurtosis	-0.329
angular_range	— – 0.3850 Å⁻¹
current_alpha	0.0000
highest_alpha	8792000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.737; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	Uncharacterized protein
formula_weight	48089.1 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3019

MAGIADLTAALASADRNRVTRVEAMRRSPTTISLSTLGALSALWGILYFMTCSGRNSRGVLADASSGMLQTRQSDSESLNSTGLAQAAINGLNARFYESSNARWSSDEPWWISGVALTMVIEYMRRSGSKEYLDQVEDVIEVQRQPLSWWPSGEGEFRADATDDTGWWALAMVRMYDLTGNEDYLNISIKDEAYMRQWWTDTECGGGLYVDIQDLTYKNAIANELYLKLVASLANRAPNATIYLDRAQQAWTWFLGSGMINGVNLINDGLARDSNTGSCYNNRLPVWTYNQGVILGALVELYHATKDESYLLSAQAIADAVLSPSNGLTSSSGVLTETCEGSDSCNQDQQVFKGVFALNLAELGDAVAGASSDPDAGQDYREYLDTNMQSMYANDRSEIVPTLFDSSTGDLYDVSWSGPFRNATMPKQASAIGLYVANI

Source

organism	Thermochaetoides thermophila DSM 1495
ncbi_taxonomy_id	759272
host_organism	Escherichia coli B

Entity 2 branched

description	beta-D-glucopyranose-(1-6)-beta-D-glucopyranose
formula_weight	342.3 kDa
src_method	man
entity_count	1

Entity 3 non-polymer

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

Entity 4 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	FORMIC ACID
formula_weight	46.0 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	148

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6. Citations (1)

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length_a	106.973 Å
length_b	106.973 Å
length_c	126.835 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 31 2 1
int_tables_number	152
crystal_system	trigonal

resolution	1.960 Å
resolution_low	49.280 Å
r_factor	0.1839
r_work	0.1827
r_free	0.2076

fit	/app/data/saxs_computation/r4/9r4u/9r4u.fit
pddf	/app/data/pr_computation/r4/9r4u/9r4u.pr.out
profile	/app/data/saxs_computation/r4/9r4u/9r4u.dat