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1bli

BACILLUS LICHENIFORMIS ALPHA-AMYLASE

Method: X-RAY DIFFRACTION D_max: 83.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bli
deposition_date	1998-01-07
title	BACILLUS LICHENIFORMIS ALPHA-AMYLASE
keywords	;HYDROLASE, GLYCOSYLTRANSFERASE, ALPHA-AMYLASE, STARCH DEGRADATION, ALPHA-1, 4-GLUCAN-4-GLUCANOHYDROLASE, THERMOSTABILITY, CALCIUM, SODIUM ;; 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	25.14 Å
rg_electron	24.07 Å
i0	50974800.00
molecular_weight	55123.0 kDa
excluded_volume	68485 Å³
envelope_volume	76313 Å³
shell_volume	27084 Å³
envelope_diameter	87.5 Å
shell_rg	30.95 Å
envelope_rg	24.15 Å
shape_rg	24.05 Å
total_rg	24.82 Å
total_atoms	3909
n_residues	481
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	83.3 Å
rg_real	25.17 Å
rg_real_error	0.58 Å
i0_real	5.0970e+07
i0_real_error	7.2940e+05
rg_reciprocal	25.16 Å
i0_reciprocal	50970000.0000
total_estimate	0.8781
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	29.1 Å
skewness	0.437
kurtosis	-0.159
angular_range	— – 0.3150 Å⁻¹
current_alpha	0.0000
highest_alpha	7752000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.839; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.969; Smooth: 0.925

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ALPHA-AMYLASE
formula_weight	55267.0 kDa
ec_number	3.2.1.1
mutation	N190F, Q264S, N265Y
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4130

ANLNGTLMQYFEWYMPNDGQHWKRLQNDSAYLAEHGITAVWIPPAYKGTSQADVGYGAYDLYDLGEFHQKGTVRTKYGTKGELQSAIKSLHSRDINVYGDVVINHKGGADATEDVTAVEVDPADRNRVISGEHLIKAWTHFHFPGRGSTYSDFKWHWYHFDGTDWDESRKLNRIYKFQGKAWDWEVSNEFGNYDYLMYADIDYDHPDVAAEIKRWGTWYANELQLDGFRLDAVKHIKFSFLRDWVNHVREKTGKEMFTVAEYWSYDLGALENYLNKTNFNHSVFDVPLHYQFHAASTQGGGYDMRKLLNGTVVSKHPLKSVTFVDNHDTQPGQSLESTVQTWFKPLAYAFILTRESGYPQVFYGDMYGTKGDSQREIPALKHKIEPILKARKQYAYGAQHDYFDHHDIVGWTREGDSSVANSGLAALITDGPGGAKRMYVGRQNAGETWHDITGNRSEPVVINSAGWGEFHVNGGSVSIYVQR

Source

organism	Bacillus licheniformis
ncbi_taxonomy_id	1402
host_organism	Bacillus subtilis

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	3

Entity 3 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	221

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6. Citations (3)

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length_a	91.300 Å
length_b	91.300 Å
length_c	137.700 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 61
int_tables_number	169
crystal_system	—

resolution	1.900 Å
resolution_low	30.000 Å
r_factor	0.1540
r_work	0.1540
r_free	0.1850

fit	/app/data/saxs_computation/bl/1bli/1bli.fit
pddf	/app/data/pr_computation/bl/1bli/1bli.pr.out
profile	/app/data/saxs_computation/bl/1bli/1bli.dat

BACILLUS LICHENIFORMIS ALPHA-AMYLASE

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