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9r4t

Crystal structure of CtGH76 from Chaetomium thermophilum in complex with glucose

Method: X-RAY DIFFRACTION D_max: 69.2 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9r4t
deposition_date	2025-05-07
title	Crystal structure of CtGH76 from Chaetomium thermophilum in complex with glucose
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	20.69 Å
rg_electron	19.45 Å
i0	29713600.00
molecular_weight	40731.0 kDa
excluded_volume	50252 Å³
envelope_volume	55852 Å³
shell_volume	23254 Å³
envelope_diameter	74.8 Å
shell_rg	26.81 Å
envelope_rg	19.86 Å
shape_rg	19.45 Å
total_rg	20.31 Å
total_atoms	2866
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	69.2 Å
rg_real	20.54 Å
rg_real_error	0.43 Å
i0_real	2.9710e+07
i0_real_error	4.0640e+05
rg_reciprocal	20.57 Å
i0_reciprocal	29710000.0000
total_estimate	0.6458
solution_quality	REASONABLE a REASONABLE solution
n_peaks	3
r_peak_primary	27.1 Å
skewness	0.136
kurtosis	-0.344
angular_range	— – 0.3850 Å⁻¹
current_alpha	0.0000
highest_alpha	9076000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.744; Stabil: 0.999; Sysdev: 0.387; Positv: 1.000; Valcen: 0.998; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Chains: A
formula_weight	48089.1 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2968

MAGIADLTAALASADRNRVTRVEAMRRSPTTISLSTLGALSALWGILYFMTCSGRNSRGVLADASSGMLQTRQSDSESLNSTGLAQAAINGLNARFYESSNARWSSDEPWWISGVALTMVIEYMRRSGSKEYLDQVEDVIEVQRQPLSWWPSGEGEFRADATDDTGWWALAMVRMYDLTGNEDYLNISIKDEAYMRQWWTDTECGGGLYVDIQDLTYKNAIANELYLKLVASLANRAPNATIYLDRAQQAWTWFLGSGMINGVNLINDGLARDSNTGSCYNNRLPVWTYNQGVILGALVELYHATKDESYLLSAQAIADAVLSPSNGLTSSSGVLTETCEGSDSCNQDQQVFKGVFALNLAELGDAVAGASSDPDAGQDYREYLDTNMQSMYANDRSEIVPTLFDSSTGDLYDVSWSGPFRNATMPKQASAIGLYVANI

Source

organism	Thermochaetoides thermophila DSM 1495
ncbi_taxonomy_id	759272
host_organism	Escherichia coli B

Entity 2 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	3

Entity 3 non-polymer

description	beta-D-glucopyranose
formula_weight	180.2 kDa
src_method	syn
entity_count	3

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	94

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6. Citations (1)

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length_a	107.237 Å
length_b	107.237 Å
length_c	127.024 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	2.300 Å
resolution_low	49.400 Å
r_factor	0.1900
r_work	0.1890
r_free	0.2084

fit	/app/data/saxs_computation/r4/9r4t/9r4t.fit
pddf	/app/data/pr_computation/r4/9r4t/9r4t.pr.out
profile	/app/data/saxs_computation/r4/9r4t/9r4t.dat

Crystal structure of CtGH76 from Chaetomium thermophilum in complex with glucose

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