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1b9z

BACILLUS CEREUS BETA-AMYLASE COMPLEXED WITH MALTOSE

Method: X-RAY DIFFRACTION D_max: 82.9 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b9z
deposition_date	1999-03-06
title	BACILLUS CEREUS BETA-AMYLASE COMPLEXED WITH MALTOSE
keywords	HYDROLASE(O-GLYCOSYL), HYDROLASE; 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	26.58 Å
rg_electron	25.76 Å
i0	57528600.00
molecular_weight	59864.0 kDa
excluded_volume	75056 Å³
envelope_volume	89518 Å³
shell_volume	29548 Å³
envelope_diameter	88.7 Å
shell_rg	32.44 Å
envelope_rg	26.07 Å
shape_rg	25.75 Å
total_rg	26.51 Å
total_atoms	4221
n_residues	516
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	82.9 Å
rg_real	26.58 Å
rg_real_error	0.69 Å
i0_real	5.7530e+07
i0_real_error	7.9890e+05
rg_reciprocal	26.58 Å
i0_reciprocal	57530000.0000
total_estimate	0.9042
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	27.6 Å
skewness	0.344
kurtosis	-0.427
angular_range	— – 0.3000 Å⁻¹
current_alpha	0.0000
highest_alpha	13140000.0000
n_real_points	61
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.936; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.952

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	PROTEIN (BETA-AMYLASE)
formula_weight	58358.5 kDa
ec_number	3.2.1.2
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4496

AVNGKGMNPDYKAYLMAPLKKIPEVTNWETFENDLRWAKQNGFYAITVDFWWGDMEKNGDQQFDFSYAQRFAQSVKNAGMKMIPIISTHQCGGNVGDDCNVPIPSWVWNQKSDDSLYFKSETGTVNKETLNPLASDVIRKEYGELYTAFAAAMKPYKDVIAKIYLSGGPAGELRYPSYTTSDGTGYPSRGKFQAYTEFAKSKFRLWVLNKYGSLNEVNKAWGTKLISELAILPPSDGEQFLMNGYLSMYGKDYLEWYQGILENHTKLIGELAHNAFDTTFQVPIGAKIAGVHWQYNNPTIPHGAEKPAGYNDYSHLLDAFKSAKLDVTFTCLEMTDKGSYPEYSMPKTLVQNIATLANEKGIVLNGENALSIGNEEEYKRVAEMAFNYNFAGFTLLRYQDVMYNNSLMGKFKDLLGVTPVMQTIVVKNVPTTIGDTVYITGNRAELGSWDTKQYPIQLYYDSHSNDWRGNVVLPAERNIEFKAFIKSKDGTVKSWQTIQQSWNPVPLKTTSHTSSW

Source

organism	Bacillus cereus
ncbi_taxonomy_id	1396
host_organism	Escherichia coli

Entity 2 branched

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

Entity 3 non-polymer

description	ACETATE ION
formula_weight	59.0 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	275

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6. Citations (1)

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length_a	58.160 Å
length_b	93.740 Å
length_c	66.660 Å
angle_alpha	90.00 °
angle_beta	102.44 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.100 Å
resolution_low	11.000 Å
r_factor	—
r_work	0.1700
r_free	0.2200

fit	/app/data/saxs_computation/b9/1b9z/1b9z.fit
pddf	/app/data/pr_computation/b9/1b9z/1b9z.pr.out
profile	/app/data/saxs_computation/b9/1b9z/1b9z.dat