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9ui2

Crystal structure of Thermus thermophilus HB8 transaldolase

Method: X-RAY DIFFRACTION D_max: 122.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9ui2
deposition_date	2025-04-15
title	Crystal structure of Thermus thermophilus HB8 transaldolase
keywords	nonulose, octulose, transaldolase, rare sugar, TRANSFERASE; TRANSFERASE
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	40.49 Å
rg_electron	39.72 Å
i0	857489000.00
molecular_weight	245910.0 kDa
excluded_volume	310180 Å³
envelope_volume	388720 Å³
shell_volume	76510 Å³
envelope_diameter	125.7 Å
shell_rg	49.33 Å
envelope_rg	39.34 Å
shape_rg	39.72 Å
total_rg	40.16 Å
total_atoms	17253
n_residues	2249
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	122.7 Å
rg_real	40.24 Å
rg_real_error	0.65 Å
i0_real	8.5750e+08
i0_real_error	1.2250e+07
rg_reciprocal	40.49 Å
i0_reciprocal	857700000.0000
total_estimate	0.8968
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	53.5 Å
skewness	0.037
kurtosis	-0.528
angular_range	— – 0.1950 Å⁻¹
current_alpha	0.0000
highest_alpha	115500000.0000
n_real_points	40
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.923; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.969; Smooth: 0.916

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Probable transaldolase
formula_weight	26223.3 kDa
ec_number	2.2.1.2
src_method	man
entity_count	10

Polymer

type	polypeptide(L)
strand_id	A,B,C,D,E,F,G,H,I,J
atom_count	18735

MGSSHHHHHHSSGLVPRGSHMELYLDTASLEEIREIAAWGVLSGVTTNPTLVAKAFAAKGEALTEEAFAAHLRAICETVGGPVSAEVTALEAEAMVAEGRRLAAIHPNIVVKLPTTEEGLKACKRLSAEGIKVNMTLIFSANQALLAARAGASYVSPFLGRVDDISWDGGELLREIVEMIQVQDLPVKVIAASIRHPRHVTEAALLGADIATMPHAVFKQLLKHPLTDIGLKRFLEDWEKVKP

Source

organism	Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8)
ncbi_taxonomy_id	300852
host_organism	Escherichia coli

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	19

Entity 3 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	27

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1482

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6. Citations (1)

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length_a	173.380 Å
length_b	173.380 Å
length_c	422.580 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	120

space_group	P 65 2 2
int_tables_number	179
crystal_system	—

resolution	1.700 Å
resolution_low	49.750 Å
r_factor	0.1905
r_work	0.1894
r_free	0.2111

fit	/app/data/saxs_computation/ui/9ui2/9ui2.fit
pddf	/app/data/pr_computation/ui/9ui2/9ui2.pr.out
profile	/app/data/saxs_computation/ui/9ui2/9ui2.dat

Crystal structure of Thermus thermophilus HB8 transaldolase

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