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9r4q

Crystal structure of CtGH76 from Chaetomium thermophilum in complex with alpha-1,3-1,6-mannotriose

Method: X-RAY DIFFRACTION D_max: 73.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9r4q
deposition_date	2025-05-07
title	Crystal structure of CtGH76 from Chaetomium thermophilum in complex with alpha-1,3-1,6-mannotriose
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	20.70 Å
rg_electron	19.45 Å
i0	29749500.00
molecular_weight	40651.0 kDa
excluded_volume	50152 Å³
envelope_volume	55951 Å³
shell_volume	23232 Å³
envelope_diameter	76.4 Å
shell_rg	26.84 Å
envelope_rg	19.93 Å
shape_rg	19.45 Å
total_rg	20.34 Å
total_atoms	2861
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	73.1 Å
rg_real	20.56 Å
rg_real_error	0.50 Å
i0_real	2.9750e+07
i0_real_error	3.7460e+05
rg_reciprocal	20.58 Å
i0_reciprocal	29750000.0000
total_estimate	0.7676
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	27.5 Å
skewness	0.139
kurtosis	-0.347
angular_range	— – 0.3850 Å⁻¹
current_alpha	0.0000
highest_alpha	9546000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.658; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

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	2923

MAGIADLTAALASADRNRVTRVEAMRRSPTTISLSTLGALSALWGILYFMTCSGRNSRGVLADASSGMLQTRQSDSESLNSTGLAQAAINGLNARFYESSNARWSSDEPWWISGVALTMVIEYMRRSGSKEYLDQVEDVIEVQRQPLSWWPSGEGEFRADATDDTGWWALAMVRMYDLTGNEDYLNISIKDEAYMRQWWTDTECGGGLYVDIQDLTYKNAIANELYLKLVASLANRAPNATIYLDRAQQAWTWFLGSGMINGVNLINDGLARDSNTGSCYNNRLPVWTYNQGVILGALVELYHATKDESYLLSAQAIADAVLSPSNGLTSSSGVLTETCEGSDSCNQDQQVFKGVFALNLAELGDAVAGASSDPDAGQDYREYLDTNMQSMYANDRSEIVPTLFDSSTGDLYDVSWSGPFRNATMPKQASAIGLYVANI

Source

organism	Thermochaetoides thermophila DSM 1495
ncbi_taxonomy_id	759272
host_organism	Escherichia coli B

Entity 2 branched

description	alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose
formula_weight	504.4 kDa
src_method	man
entity_count	1

Entity 3 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	FORMIC ACID
formula_weight	46.0 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	54

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6. Citations (1)

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length_a	107.099 Å
length_b	107.099 Å
length_c	126.544 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	2.700 Å
resolution_low	43.540 Å
r_factor	0.1991
r_work	0.1973
r_free	0.2331

fit	/app/data/saxs_computation/r4/9r4q/9r4q.fit
pddf	/app/data/pr_computation/r4/9r4q/9r4q.pr.out
profile	/app/data/saxs_computation/r4/9r4q/9r4q.dat