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1cxi

WILD-TYPE CGTASE FROM BACILLUS CIRCULANS STRAIN 251 AT 120 K AND PH 7.55

Method: X-RAY DIFFRACTION D_max: 81.1 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cxi
deposition_date	1995-07-31
title	WILD-TYPE CGTASE FROM BACILLUS CIRCULANS STRAIN 251 AT 120 K AND PH 7.55
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	26.55 Å
rg_electron	25.38 Å
i0	95745200.00
molecular_weight	75616.0 kDa
excluded_volume	93871 Å³
envelope_volume	106610 Å³
shell_volume	34201 Å³
envelope_diameter	83.2 Å
shell_rg	33.55 Å
envelope_rg	25.42 Å
shape_rg	25.37 Å
total_rg	26.22 Å
total_atoms	5335
n_residues	686
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	81.1 Å
rg_real	26.40 Å
rg_real_error	0.36 Å
i0_real	9.5750e+07
i0_real_error	1.2770e+06
rg_reciprocal	26.45 Å
i0_reciprocal	95750000.0000
total_estimate	0.9104
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	32.4 Å
skewness	0.146
kurtosis	-0.551
angular_range	— – 0.3000 Å⁻¹
current_alpha	0.0000
highest_alpha	17580000.0000
n_real_points	61
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.952; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.983

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	CYCLODEXTRIN GLYCOSYLTRANSFERASE
formula_weight	74575.5 kDa
ec_number	2.4.1.19
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5803

APDTSVSNKQNFSTDVIYQIFTDRFSDGNPANNPTGAAFDGTCTNLRLYCGGDWQGIINKINDGYLTGMGVTAIWISQPVENIYSIINYSGVNNTAYHGYWARDFKKTNPAYGTIADFQNLIAAAHAKNIKVIIDFAPNHTSPASSDQPSFAENGRLYDNGTLLGGYTNDTQNLFHHNGGTDFSTTENGIYKNLYDLADLNHNNSTVDVYLKDAIKMWLDLGIDGIRMDAVKHMPFGWQKSFMAAVNNYKPVFTFGEWFLGVNEVSPENHKFANESGMSLLDFRFAQKVRQVFRDNTDNMYGLKAMLEGSAADYAQVDDQVTFIDNHDMERFHASNANRRKLEQALAFTLTSRGVPAIYYGTEQYMSGGTDPDNRARIPSFSTSTTAYQVIQKLAPLRKCNPAIAYGSTQERWINNDVLIYERKFGSNVAVVAVNRNLNAPASISGLVTSLPQGSYNDVLGGLLNGNTLSVGSGGAASNFTLAAGGTAVWQYTAATATPTIGHVGPMMAKPGVTITIDGRGFGSSKGTVYFGTTAVSGADITSWEDTQIKVKIPAVAGGNYNIKVANAAGTASNVYDNFEVLSGDQVSVRFVVNNATTALGQNVYLTGSVSELGNWDPAKAIGPMYNQVVYQYPNWYYDVSVPAGKTIEFKFLKKQGSTVTWEGGSNHTFTAPSSGTATINVNWQP

Entity 2 branched

description	alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
formula_weight	342.3 kDa
src_method	man
entity_count	3

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	468

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6. Citations (4)

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length_a	117.950 Å
length_b	109.800 Å
length_c	65.650 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	2.200 Å
resolution_low	8.000 Å
r_factor	0.1800
r_work	—
r_free	0.2000

fit	/app/data/saxs_computation/cx/1cxi/1cxi.fit
pddf	/app/data/pr_computation/cx/1cxi/1cxi.pr.out
profile	/app/data/saxs_computation/cx/1cxi/1cxi.dat

WILD-TYPE CGTASE FROM BACILLUS CIRCULANS STRAIN 251 AT 120 K AND PH 7.55

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