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1ajk

CIRCULARLY PERMUTED (1-3,1-4)-BETA-D-GLUCAN 4-GLUCANOHYDROLASE CPA16M-84

Method: X-RAY DIFFRACTION D_max: 79.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ajk
deposition_date	1997-05-06
title	CIRCULARLY PERMUTED (1-3,1-4)-BETA-D-GLUCAN 4-GLUCANOHYDROLASE CPA16M-84
keywords	HYDROLASE, GLUCANASE, CIRCULAR PERMUTATION; 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	24.38 Å
rg_electron	23.52 Å
i0	37101100.00
molecular_weight	46927.0 kDa
excluded_volume	58393 Å³
envelope_volume	69028 Å³
shell_volume	24696 Å³
envelope_diameter	81.1 Å
shell_rg	30.09 Å
envelope_rg	23.54 Å
shape_rg	23.49 Å
total_rg	24.35 Å
total_atoms	3321
n_residues	413
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	79.2 Å
rg_real	24.38 Å
rg_real_error	0.56 Å
i0_real	3.7100e+07
i0_real_error	5.3430e+05
rg_reciprocal	24.38 Å
i0_reciprocal	37100000.0000
total_estimate	0.8910
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.4 Å
skewness	0.337
kurtosis	-0.491
angular_range	— – 0.3250 Å⁻¹
current_alpha	0.0000
highest_alpha	8958000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.876; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.967; Smooth: 0.986

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	CIRCULARLY PERMUTED (1-3,1-4)-BETA-D-GLUCAN 4-GLUCANOHYDROLASE
formula_weight	23935.2 kDa
ec_number	3.2.1.73
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	3625

NTGIVSSFFTYTGPAHGTQWDEIDIEFLGKDTTKVQFNYYTNGVGGHEKVISLGFDASKGFHTYAFDWQPGYIKWYVDGVLKHTATANIPSTPGKIMMNLWNGTGVDDWLGSYNGANPLYAEYDWVKYTSNQTGGSFFEPFNSYNSGTWEKADGYSNGGVFNCTWRANNVNFTNDGKLKLGLTSSAYNKFDCAEYRSTNIYGYGLYEVSMKPAK

Source

organism	Paenibacillus macerans
ncbi_taxonomy_id	44252
host_organism	Escherichia coli

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
formula_weight	238.3 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	303

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6. Citations (1)

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length_a	45.450 Å
length_b	65.820 Å
length_c	69.610 Å
angle_alpha	90.00 °
angle_beta	106.87 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.800 Å
resolution_low	33.330 Å
r_factor	—
r_work	0.1680
r_free	0.2190

fit	/app/data/saxs_computation/aj/1ajk/1ajk.fit
pddf	/app/data/pr_computation/aj/1ajk/1ajk.pr.out
profile	/app/data/saxs_computation/aj/1ajk/1ajk.dat