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1b3y

XYLANASE FROM PENICILLIUM SIMPLICISSIMUM, COMPLEX WITH XYLOTETRAOSE

Method: X-RAY DIFFRACTION D_max: 61.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b3y
deposition_date	1998-12-15
title	XYLANASE FROM PENICILLIUM SIMPLICISSIMUM, COMPLEX WITH XYLOTETRAOSE
keywords	FAMILY 10 XYLANASE, PENICILLIUM SIMPLICISSIMUM, GLYCOSYL HYDROLASE, SUBSTRATE BINDING; FAMILY 10 XYLANASE
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	19.18 Å
rg_electron	18.11 Å
i0	18730000.00
molecular_weight	33101.0 kDa
excluded_volume	41407 Å³
envelope_volume	43839 Å³
shell_volume	19908 Å³
envelope_diameter	61.8 Å
shell_rg	24.82 Å
envelope_rg	18.30 Å
shape_rg	18.09 Å
total_rg	19.02 Å
total_atoms	2336
n_residues	301
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	61.0 Å
rg_real	19.07 Å
rg_real_error	0.30 Å
i0_real	1.8730e+07
i0_real_error	2.4040e+05
rg_reciprocal	19.08 Å
i0_reciprocal	18730000.0000
total_estimate	0.8913
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	23.7 Å
skewness	0.197
kurtosis	-0.372
angular_range	— – 0.4150 Å⁻¹
current_alpha	0.0000
highest_alpha	4769000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.864; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.996

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (XYLANASE)
formula_weight	32566.5 kDa
ec_number	3.2.1.8
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2596

QASVSIDAKFKAHGKKYLGTIGDQYTLTKNTKNPAIIKADFGQLTPENSMKWDATEPNRGQFTFSGSDYLVNFAQSNGKLIRGHTLVWHSQLPGWVSSITDKNTLISVLKNHITTVMTRYKGKIYAWDVLNEIFNEDGSLRNSVFYNVIGEDYVRIAFETARSVDPNAKLYINDYNLDSAGYSKVNGMVSHVKKWLAAGIPIDGIGSQTHLGAGAGSAVAGALNALASAGTKEIAITELDIAGASSTDYVNVVNACLNQAKCVGITVWGVADPDSWRSSSSPLLFDGNYNPKAAYNAIANAL

Entity 2 branched

description	beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
formula_weight	414.4 kDa
src_method	man
entity_count	1

Entity 3 non-polymer

description	alpha-D-xylopyranose
formula_weight	150.1 kDa
src_method	man
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	254

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6. Citations (2)

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length_a	81.340 Å
length_b	81.340 Å
length_c	113.240 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 31 2 1
int_tables_number	152
crystal_system	—

resolution	2.450 Å
resolution_low	10.000 Å
r_factor	—
r_work	0.1910
r_free	0.2480

fit	/app/data/saxs_computation/b3/1b3y/1b3y.fit
pddf	/app/data/pr_computation/b3/1b3y/1b3y.pr.out
profile	/app/data/saxs_computation/b3/1b3y/1b3y.dat

XYLANASE FROM PENICILLIUM SIMPLICISSIMUM, COMPLEX WITH XYLOTETRAOSE

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