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1cyg

CYCLODEXTRIN GLUCANOTRANSFERASE (E.C.2.4.1.19) (CGTASE)

Method: X-RAY DIFFRACTION D_max: 80.3 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cyg
deposition_date	1993-02-03
title	CYCLODEXTRIN GLUCANOTRANSFERASE (E.C.2.4.1.19) (CGTASE)
keywords	GLYCOSYLTRANSFERASE; GLYCOSYLTRANSFERASE
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	26.78 Å
rg_electron	25.63 Å
i0	96522400.00
molecular_weight	75437.0 kDa
excluded_volume	93358 Å³
envelope_volume	107710 Å³
shell_volume	34347 Å³
envelope_diameter	84.9 Å
shell_rg	33.72 Å
envelope_rg	25.64 Å
shape_rg	25.62 Å
total_rg	26.42 Å
total_atoms	5320
n_residues	680
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	80.3 Å
rg_real	26.64 Å
rg_real_error	0.40 Å
i0_real	9.6520e+07
i0_real_error	1.3330e+06
rg_reciprocal	26.69 Å
i0_reciprocal	96530000.0000
total_estimate	0.9104
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	32.7 Å
skewness	0.162
kurtosis	-0.529
angular_range	— – 0.2950 Å⁻¹
current_alpha	0.0000
highest_alpha	15410000.0000
n_real_points	60
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.965; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.943

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	CYCLODEXTRIN GLUCANOTRANSFERASE
formula_weight	75438.3 kDa
ec_number	2.4.1.19
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5551

AGNLNKVNFTSDVVYQIVVDRFVDGNTSNNPSGALFSSGCTNLRKYCGGDWQGIINKINDGYLTDMGVTAIWISQPVENVFSVMNDASGSASYHGYWARDFKKPNPFFGTLSDFQRLVDAAHAKGIKVIIDFAPNHTSPASETNPSYMENGRLYDNGTLLGGYTNDANMYFHHNGGTTFSSLEDGIYRNLFDLADLNHQNPVIDRYLKDAVKMWIDMGIDGIRMDAVKHMPFGWQKSLMDEIDNYRPVFTFGEWFLSENEVDANNHYFANESGMSLLDFRFGQKLRQVLRNNSDNWYGFNQMIQDTASAYDEVLDQVTFIDNHDMDRFMIDGGDPRKVDMALAVLLTSRGVPNIYYGTEQYMTGNGDPNNRKMMSSFNKNTRAYQVIQKLSSLRRNNPALAYGDTEQRWINGDVYVYERQFGKDVVLVAVNRSSSSNYSITGLFTALPAGTYTDQLGGLLDGNTIQVGSNGSVNAFDLGPGEVGVWAYSATESTPIIGHVGPMMGQVGHQVTIDGEGFGTNTGTVKFGTTAANVVSWSNNQIVVAVPNVSPGKYNITVQSSSGQTSAAYDNFEVLTNDQVSVRFVVNNATTNLGQNIYIVGNVYELGNWDTSKAIGPMFNQVVYSYPTWYIDVSVPEGKTIEFKFIKKDSQGNVTWESGSNHVYTTPTNTTGKIIVDWQN

Source

organism	Geobacillus stearothermophilus
ncbi_taxonomy_id	1422

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	231

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6. Citations (0)

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length_a	121.500 Å
length_b	88.000 Å
length_c	78.900 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.500 Å
resolution_low	5.000 Å
r_factor	0.1540
r_work	—
r_free	—

fit	/app/data/saxs_computation/cy/1cyg/1cyg.fit
pddf	/app/data/pr_computation/cy/1cyg/1cyg.pr.out
profile	/app/data/saxs_computation/cy/1cyg/1cyg.dat