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1cxl

COMPLEX BETWEEN A COVALENT INTERMEDIATE AND BACILLUS CIRCULANS STRAIN 251 CGTASE E257Q

Method: X-RAY DIFFRACTION D_max: 80.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cxl
deposition_date	1999-02-27
title	COMPLEX BETWEEN A COVALENT INTERMEDIATE AND BACILLUS CIRCULANS STRAIN 251 CGTASE E257Q
keywords	GLYCOSYL HYDROLASE FAMILY 13, ALPHA-AMYLASE FAMILY, INTERMEDIATE COMPLEX, 4- DEOXYMALTOTRIOSE, 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	26.46 Å
rg_electron	25.29 Å
i0	97127300.00
molecular_weight	76474.0 kDa
excluded_volume	95017 Å³
envelope_volume	106930 Å³
shell_volume	34293 Å³
envelope_diameter	82.9 Å
shell_rg	33.64 Å
envelope_rg	25.42 Å
shape_rg	25.28 Å
total_rg	26.14 Å
total_atoms	5394
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	80.0 Å
rg_real	26.31 Å
rg_real_error	0.48 Å
i0_real	9.7130e+07
i0_real_error	1.2420e+06
rg_reciprocal	26.36 Å
i0_reciprocal	97130000.0000
total_estimate	0.9118
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	32.0 Å
skewness	0.151
kurtosis	-0.551
angular_range	— – 0.3000 Å⁻¹
current_alpha	0.0000
highest_alpha	19070000.0000
n_real_points	61
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.958; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.989

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4. Crystallography & Experiment

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5. Entities & Polymer Info (7)

Entity 1 polymer

description	PROTEIN (CYCLODEXTRIN-GLYCOSYLTRANSFERASE)
formula_weight	74558.4 kDa
ec_number	2.4.1.19
mutation	E257Q
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	6063

APDTSVSNKQNFSTDVIYQIFTDRFSDGNPANNPTGAAFDGTCTNLRLYCGGDWQGIINKINDGYLTGMGVTAIWISQPVENIYSIINYSGVNNTAYHGYWARDFKKTNPAYGTIADFQNLIAAAHAKNIKVIIDFAPNHTSPASSDQPSFAENGRLYDNGTLLGGYTNDTQNLFHHNGGTDFSTTENGIYKNLYDLADLNHNNSTVDVYLKDAIKMWLDLGIDGIRMDAVKHMPFGWQKSFMAAVNNYKPVFTFGQWFLGVNEVSPENHKFANESGMSLLDFRFAQKVRQVFRDNTDNMYGLKAMLEGSAADYAQVDDQVTFIDNHDMERFHASNANRRKLEQALAFTLTSRGVPAIYYGTEQYMSGGTDPDNRARIPSFSTSTTAYQVIQKLAPLRKSNPAIAYGSTQERWINNDVLIYERKFGSNVAVVAVNRNLNAPASISGLVTSLPQGSYNDVLGGLLNGNTLSVGSGGAASNFTLAAGGTAVWQYTAATATPTIGHVGPMMAKPGVTITIDGRGFGSSKGTVYFGTTAVSGADITSWEDTQIKVKIPAVAGGNYNIKVANAAGTASNVYDNFEVLSGDQVSVRFVVNNATTALGQNVYLTGSVSELGNWDPAKAIGPMYNQVVYQYPNWYYDVSVPAGKTIEFKFLKKQGSTVTWEGGSNHTFTAPSSGTATINVNWQP

Source

organism	Bacillus circulans
ncbi_taxonomy_id	1397
host_organism	Bacillus subtilis

Entity 2 branched

description	4-deoxy-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
formula_weight	488.4 kDa
src_method	man
entity_count	1

Entity 3 branched

description	4-deoxy-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
formula_weight	326.3 kDa
src_method	man
entity_count	1

Entity 4 branched

description	4-deoxy-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranosyl fluoride
formula_weight	490.4 kDa
src_method	man
entity_count	2

Entity 5 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	2

Entity 6 non-polymer

description	(4S)-2-METHYL-2,4-PENTANEDIOL
formula_weight	118.2 kDa
src_method	syn
entity_count	1

Entity 7 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	669

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6. Citations (5)

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length_a	117.071 Å
length_b	109.281 Å
length_c	65.335 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	1.810 Å
resolution_low	8.000 Å
r_factor	—
r_work	0.1550
r_free	0.1900

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