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1e5j

;ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN THE TETRAGONAL CRYSTAL FORM IN COMPLEX WITH METHYL-4II-S-ALPHA-CELLOBIOSYL-4II-THIO-BETA-CELLOBIOSIDE ;

Method: X-RAY DIFFRACTION D_max: 55.5 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e5j
deposition_date	2000-07-26
title	;ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN THE TETRAGONAL CRYSTAL FORM IN COMPLEX WITH METHYL-4II-S-ALPHA-CELLOBIOSYL-4II-THIO-BETA-CELLOBIOSIDE ;
keywords	HYDROLASE, CELLULOSE DEGRADATION, GLYCOSHYDROLASE FAMILY 5; 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	18.94 Å
rg_electron	17.56 Å
i0	21711200.00
molecular_weight	34630.0 kDa
excluded_volume	42711 Å³
envelope_volume	45966 Å³
shell_volume	20960 Å³
envelope_diameter	56.3 Å
shell_rg	24.74 Å
envelope_rg	17.77 Å
shape_rg	17.55 Å
total_rg	18.53 Å
total_atoms	2438
n_residues	302
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	55.5 Å
rg_real	18.75 Å
rg_real_error	0.23 Å
i0_real	2.1710e+07
i0_real_error	2.4160e+05
rg_reciprocal	18.78 Å
i0_reciprocal	21710000.0000
total_estimate	0.9026
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	25.4 Å
skewness	-0.006
kurtosis	-0.543
angular_range	— – 0.4200 Å⁻¹
current_alpha	0.0000
highest_alpha	7410000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.929; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.964; Smooth: 0.980

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ENDOGLUCANASE 5A
formula_weight	34156.2 kDa
ec_number	3.2.1.4
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2771

DNDSVVEEHGQLSISNGELVNERGEQVQLKGMSSHGLQWYGQFVNYESMKWLRDDWGINVFRAAMYTSSGGYIDDPSVKEKVKEAVEAAIDLDIYVIIDWHILSDNDPNIYKEEAKDFFDEMSELYGDYPNVIYEIANEPNGSDVTWGNQIKPYAEEVIPIIRNNDPNNIIIVGTGTWSQDVHHAADNQLADPNVMYAFHFYAGTHGQNLRDQVDYALDQGAAIFVSEWGTSAATGDGGVFLDEAQVWIDFMDERNLSWANWSLTHKDESSAALMPGANPTGGWTEAELSPSGTFVREKIRESAS

Source

organism	BACILLUS AGARADHAERENS
ncbi_taxonomy_id	76935
host_organism	BACILLUS SUBTILIS

Entity 2 branched

description	alpha-D-glucopyranose-(1-4)-4-thio-beta-D-glucopyranose-(1-4)-4-thio-beta-D-glucopyranose-(1-4)-methyl beta-D-glucopyranoside
formula_weight	712.7 kDa
src_method	man
entity_count	1

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	4

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	328

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6. Citations (1)

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length_a	74.520 Å
length_b	74.520 Å
length_c	136.193 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

resolution	1.850 Å
resolution_low	15.000 Å
r_factor	0.1790
r_work	0.1770
r_free	0.2220

fit	/app/data/saxs_computation/e5/1e5j/1e5j.fit
pddf	/app/data/pr_computation/e5/1e5j/1e5j.pr.out
profile	/app/data/saxs_computation/e5/1e5j/1e5j.dat

;ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN THE TETRAGONAL CRYSTAL FORM IN COMPLEX WITH METHYL-4II-S-ALPHA-CELLOBIOSYL-4II-THIO-BETA-CELLOBIOSIDE ;

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