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1b3w

XYLANASE FROM PENICILLIUM SIMPLICISSIMUM, COMPLEX WITH XYLOBIOSE

Method: X-RAY DIFFRACTION D_max: 60.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b3w
deposition_date	1998-12-15
title	XYLANASE FROM PENICILLIUM SIMPLICISSIMUM, COMPLEX WITH XYLOBIOSE
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	19.25 Å
rg_electron	18.19 Å
i0	18587500.00
molecular_weight	32968.0 kDa
excluded_volume	41243 Å³
envelope_volume	43805 Å³
shell_volume	19840 Å³
envelope_diameter	61.9 Å
shell_rg	24.81 Å
envelope_rg	18.37 Å
shape_rg	18.17 Å
total_rg	19.09 Å
total_atoms	2327
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	60.7 Å
rg_real	19.14 Å
rg_real_error	0.31 Å
i0_real	1.8590e+07
i0_real_error	2.1730e+05
rg_reciprocal	19.16 Å
i0_reciprocal	18590000.0000
total_estimate	0.8936
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	23.6 Å
skewness	0.189
kurtosis	-0.388
angular_range	— – 0.4150 Å⁻¹
current_alpha	0.0000
highest_alpha	4417000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.879; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.984

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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	2535

QASVSIDAKFKAHGKKYLGTIGDQYTLTKNTKNPAIIKADFGQLTPENSMKWDATEPNRGQFTFSGSDYLVNFAQSNGKLIRGHTLVWHSQLPGWVSSITDKNTLISVLKNHITTVMTRYKGKIYAWDVLNEIFNEDGSLRNSVFYNVIGEDYVRIAFETARSVDPNAKLYINDYNLDSAGYSKVNGMVSHVKKWLAAGIPIDGIGSQTHLGAGAGSAVAGALNALASAGTKEIAITELDIAGASSTDYVNVVNACLNQAKCVGITVWGVADPDSWRSSSSPLLFDGNYNPKAAYNAIANAL

Entity 2 branched

description	alpha-D-xylopyranose-(1-4)-beta-D-xylopyranose
formula_weight	282.2 kDa
src_method	nat
entity_count	1

Entity 3 non-polymer

description	beta-D-xylopyranose
formula_weight	150.1 kDa
src_method	nat
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	202

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6. Citations (2)

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length_a	81.120 Å
length_b	81.120 Å
length_c	113.600 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	2.600 Å
resolution_low	10.000 Å
r_factor	—
r_work	0.1990
r_free	0.2460

fit	/app/data/saxs_computation/b3/1b3w/1b3w.fit
pddf	/app/data/pr_computation/b3/1b3w/1b3w.pr.out
profile	/app/data/saxs_computation/b3/1b3w/1b3w.dat

XYLANASE FROM PENICILLIUM SIMPLICISSIMUM, COMPLEX WITH XYLOBIOSE

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