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1ajo

CIRCULARLY PERMUTED (1-3,1-4)-BETA-D-GLUCAN 4-GLUCANOHYDROLASE CPA16M-127

Method: X-RAY DIFFRACTION D_max: 77.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ajo
deposition_date	1997-05-07
title	CIRCULARLY PERMUTED (1-3,1-4)-BETA-D-GLUCAN 4-GLUCANOHYDROLASE CPA16M-127
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	24.44 Å
rg_electron	23.69 Å
i0	38215300.00
molecular_weight	47646.0 kDa
excluded_volume	59301 Å³
envelope_volume	70045 Å³
shell_volume	25059 Å³
envelope_diameter	78.8 Å
shell_rg	30.10 Å
envelope_rg	23.57 Å
shape_rg	23.68 Å
total_rg	24.46 Å
total_atoms	3378
n_residues	425
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	77.0 Å
rg_real	24.44 Å
rg_real_error	0.44 Å
i0_real	3.8220e+07
i0_real_error	5.0060e+05
rg_reciprocal	24.44 Å
i0_reciprocal	38220000.0000
total_estimate	0.9019
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	26.9 Å
skewness	0.329
kurtosis	-0.473
angular_range	— – 0.3250 Å⁻¹
current_alpha	0.0000
highest_alpha	7848000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.914; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.990

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	CIRCULARLY PERMUTED (1-3,1-4)-BETA-D-GLUCAN 4-GLUCANOHYDROLASE CPA16M-127
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	3622

VGGHEKVISLGFDASKGFHTYAFDWQPGYIKWYVDGVLKHTATANIPSTPGKIMMNLWNGTGVDDWLGSYNGANPLYAEYDWVKYTSNQTGGSFFEPFNSYNSGTWEKADGYSNGGVFNCTWRANNVNFTNDGKLKLGLTSSAYNKFDCAEYRSTNIYGYGLYEVSMKPAKNTGIVSSFFTYTGPAHGTQWDEIDIEFLGKDTTKVQFNYYTNG

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 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	244

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6. Citations (1)

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length_a	44.950 Å
length_b	46.550 Å
length_c	63.990 Å
angle_alpha	92.60 °
angle_beta	109.28 °
angle_gamma	116.68 °
z_pdb	2

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	2.070 Å
resolution_low	9.990 Å
r_factor	—
r_work	0.1760
r_free	0.2350

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

CIRCULARLY PERMUTED (1-3,1-4)-BETA-D-GLUCAN 4-GLUCANOHYDROLASE CPA16M-127

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