CRYSTAL STRUCTURE OF GLYCOSYLTREHALOSE TREHALOHYDROLASE FROM SULFOLOBUS SOLFATARICUS

Method: X-RAY DIFFRACTION D_max: 89.6 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eha
deposition_date	2000-02-19
title	CRYSTAL STRUCTURE OF GLYCOSYLTREHALOSE TREHALOHYDROLASE FROM SULFOLOBUS SOLFATARICUS
keywords	trehalose, trehalohydrolase, Sulfolobus solfataricus, alpha-beta barrel, calcium binding, covalent dimer, 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	25.61 Å
rg_electron	24.79 Å
i0	63350300.00
molecular_weight	64048.0 kDa
excluded_volume	80606 Å³
envelope_volume	90621 Å³
shell_volume	30625 Å³
envelope_diameter	92.4 Å
shell_rg	32.09 Å
envelope_rg	25.06 Å
shape_rg	24.76 Å
total_rg	25.63 Å
total_atoms	4542
n_residues	557
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	89.6 Å
rg_real	25.64 Å
rg_real_error	0.87 Å
i0_real	6.3350e+07
i0_real_error	1.0220e+06
rg_reciprocal	25.63 Å
i0_reciprocal	63350000.0000
total_estimate	0.6891
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	31.8 Å
skewness	0.498
kurtosis	0.144
angular_range	— – 0.3100 Å⁻¹
current_alpha	0.0000
highest_alpha	14760000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.680; Stabil: 1.000; Sysdev: 0.315; Positv: 1.000; Valcen: 0.991; Smooth: 0.980

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (1)

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length_a	80.366 Å
length_b	80.366 Å
length_c	281.998 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 32 2 1
int_tables_number	154
crystal_system	—

resolution	3.000 Å
resolution_low	20.000 Å
r_factor	—
r_work	—
r_free	—

description	GLYCOSYLTREHALOSE TREHALOHYDROLASE
formula_weight	64737.7 kDa
ec_number	3.2.1.1
mutation	C298V
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	4572

CRYSTAL STRUCTURE OF GLYCOSYLTREHALOSE TREHALOHYDROLASE FROM SULFOLOBUS SOLFATARICUS

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

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Sulfolobus solfataricus
ncbi_taxonomy_id	2287
host_organism	Pichia jadinii

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	30

fit	/app/data/saxs_computation/eh/1eha/1eha.fit
pddf	/app/data/pr_computation/eh/1eha/1eha.pr.out
profile	/app/data/saxs_computation/eh/1eha/1eha.dat