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9vmj

Crystal structure of TeGH116 from Thermosynechococcus elongatus

Method: X-RAY DIFFRACTION D_max: 138.5 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9vmj
deposition_date	2025-06-28
last_revision	2025-11-26
title	Crystal structure of TeGH116 from Thermosynechococcus elongatus
keywords	TeGH116, beta-glucosidase, Thermosynechococcus elongatus, cyanobacteria, 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	42.92 Å
rg_electron	42.66 Å
i0	451161000.00
molecular_weight	176480.0 kDa
excluded_volume	220440 Å³
envelope_volume	268350 Å³
shell_volume	51702 Å³
envelope_diameter	143.0 Å
shell_rg	48.42 Å
envelope_rg	42.16 Å
shape_rg	42.66 Å
total_rg	42.89 Å
total_atoms	12498
n_residues	1567
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	138.5 Å
rg_real	43.04 Å
rg_real_error	1.12 Å
i0_real	4.5120e+08
i0_real_error	7.6690e+06
rg_reciprocal	42.92 Å
i0_reciprocal	451100000.0000
total_estimate	0.5751
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	33.7 Å
skewness	0.283
kurtosis	-0.803
angular_range	— – 0.1850 Å⁻¹
current_alpha	0.0000
highest_alpha	184400000.0000
n_real_points	38
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.837; Stabil: 1.000; Sysdev: 0.016; Positv: 1.000; Valcen: 0.911; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Tlr0193 protein
formula_weight	90460.2 kDa
ec_number	3.2.1.21
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	13185

AMAMPSDGAALKRYSGSGASSENGVIEFANCAWTRAIGQGWETPYRVRYASNLDDGPWYGMPLGGFGAGCIGRSSAGDFNLWHVDGGEHIFGTLPACQFSLFEQGEQTQAYALGSAPKDGRLSSWQWYPAGKGTYAVRYPRSWFVYEGVFRAQITCEQFSPILPHNYQETSYPVAVFLWTFSNPTDQSLTLSLMLSWQNTVGWFCNTTPSSAIAIRDDGSPVYTYTPRWGQSDGNFNELIQTESFQGWRLRRMPHPNPPQEGDGEWAALIPTGLGEFFGCSRWQPEGDGAHLWQSFSVDGSLPFVNDPTPAAAGEQVAAAFALRFSLAPGERKQIPVVLAWDFPVTEFGKGVIYYRRYTDFCDRHGTNAVTLAAQALAAYATWQEQIRTWQAPILSHPDWPDWFKMALCNELYVLSSGGSLWSAASDRDPVGQFAVLECLDYRWYESLDVRLYGSFALLQLWPELEKSVMRAFARAIPTADPTLRIIGYFYRGDPETAYKAPRKLANAVPHDLGAPNEHPWEKTNYTAYQDCNLWKDLASDFVLLVYRDFLFTGGTDLNFARECWPAVVAALDHLKQFDQDGDGLPENGGAPDQTYDDWKLQGVSAYCGGLWLAALEAAIALGTLLQQPQVEIYRQWLSQARPRYHQLLWNGEYYRLDTGSGSDVIMADQLCGQFYAQLLGLVDIVPPDCCDRALRKIYDTCFLKFHNGQFGAANGLLPNGQPENPHATHPLEVWTGINFGLAAFLWQRGMIDEAWRLAEVVVRQIYENGLQFRTPEAITANGTFRACMYLRPMAIWALALVSGGSRLP

Source

organism	Thermosynechococcus vestitus BP-1
ncbi_taxonomy_id	197221
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	L(+)-TARTARIC ACID
formula_weight	150.1 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	671

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6. Citations (1)

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length_a	266.847 Å
length_b	55.299 Å
length_c	175.918 Å
angle_alpha	90.00 °
angle_beta	129.72 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.200 Å
resolution_low	26.656 Å
r_factor	—
r_work	0.1469
r_free	0.1742

fit	/app/data/saxs_computation/vm/9vmj/9vmj.fit
pddf	/app/data/pr_computation/vm/9vmj/9vmj.pr.out
profile	/app/data/saxs_computation/vm/9vmj/9vmj.dat