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9zau

Pel polysaccharide deacetylase PelA from Bacillus cereus ATCC 10987

Method: X-RAY DIFFRACTION D_max: 105.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9zau
deposition_date	2025-11-19
title	Pel polysaccharide deacetylase PelA from Bacillus cereus ATCC 10987
keywords	Carbohydrate esterase, Carbohydrate binding module (CBM), MEMBRANE PROTEIN; MEMBRANE PROTEIN
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	33.86 Å
rg_electron	33.08 Å
i0	224650000.00
molecular_weight	124000.0 kDa
excluded_volume	156470 Å³
envelope_volume	194160 Å³
shell_volume	47030 Å³
envelope_diameter	104.1 Å
shell_rg	41.55 Å
envelope_rg	32.70 Å
shape_rg	33.08 Å
total_rg	33.70 Å
total_atoms	8753
n_residues	1101
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	105.0 Å
rg_real	33.71 Å
rg_real_error	0.69 Å
i0_real	2.2460e+08
i0_real_error	3.9150e+06
rg_reciprocal	33.80 Å
i0_reciprocal	224700000.0000
total_estimate	0.9090
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	46.9 Å
skewness	0.097
kurtosis	-0.659
angular_range	— – 0.2350 Å⁻¹
current_alpha	0.0000
highest_alpha	149900000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.947; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.971

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Predicted membrane protein, putative
formula_weight	67036.5 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	8830

MRTENFYQKFSVPKTKETDTVKTLKAKDVAQNGQKMQLYVLKTDNTLGQQVEFNTKKAMDYAHLHYKDITANEIKGLTPSPYTGIIITGEIMAQLPQADIQNFVQMGGRIIIANRLDSDPSWNTLFGITKKEGFKDVKGLTFEEVLFAGYPDLSSSSPLFTHSSMNITLDENTTNTWITAEDTPILWTNDYGEGKVLYWNTTALNDKLGRGMFVQSLGTIFPTFATVQLGAEIMYIDDFPSPIPSGELKNLTTEKISVEEFYKKHWWKNMKDISEELDIKYTGVAIGTYQNKVTPPFENFTGKNRNTYLLFGRELLSHGGEIGIHGYNHQPLLLPPDPVDKALEYVPWNSKEDMERSLDALQKLVYNFFPNEKLKTYVPPSNIINTTGLSALNDAVPTMETVASLYVGSKSNGSLIQEFGPDEHNKNIYHFPRITSGYAISDEEQFILADVTANLGVISHFVHPDDILDEKRSGNLTWEELFKAYKTTIKEIRERYPYIKSMTQSEATASMKIYQTGDLAVSYEDDAVHIAYKGLPNHTATIIRVEEGKKLKTGSFPYGTVTKLDSQIYSVILKQANATIPIKGVLEHHHHHH

Source

organism	Bacillus cereus ATCC 10987
ncbi_taxonomy_id	222523
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	77

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6. Citations (1)

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length_a	55.238 Å
length_b	112.033 Å
length_c	100.509 Å
angle_alpha	90.00 °
angle_beta	90.89 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	monoclinic

resolution	2.510 Å
resolution_low	29.640 Å
r_factor	0.1975
r_work	0.1942
r_free	0.2565

fit	/app/data/saxs_computation/za/9zau/9zau.fit
pddf	/app/data/pr_computation/za/9zau/9zau.pr.out
profile	/app/data/saxs_computation/za/9zau/9zau.dat

Pel polysaccharide deacetylase PelA from Bacillus cereus ATCC 10987

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