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1b3x

XYLANASE FROM PENICILLIUM SIMPLICISSIMUM, COMPLEX WITH XYLOTRIOSE

Method: X-RAY DIFFRACTION D_max: 61.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b3x
deposition_date	1998-12-15
title	XYLANASE FROM PENICILLIUM SIMPLICISSIMUM, COMPLEX WITH XYLOTRIOSE
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	19.31 Å
rg_electron	18.22 Å
i0	18754800.00
molecular_weight	33101.0 kDa
excluded_volume	41407 Å³
envelope_volume	44430 Å³
shell_volume	20041 Å³
envelope_diameter	62.1 Å
shell_rg	24.94 Å
envelope_rg	18.42 Å
shape_rg	18.21 Å
total_rg	19.15 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	61.4 Å
rg_real	19.19 Å
rg_real_error	0.34 Å
i0_real	1.8750e+07
i0_real_error	2.5130e+05
rg_reciprocal	19.21 Å
i0_reciprocal	18750000.0000
total_estimate	0.8149
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	23.3 Å
skewness	0.194
kurtosis	-0.376
angular_range	— – 0.4100 Å⁻¹
current_alpha	0.0000
highest_alpha	4934000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.865; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.000

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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	2643

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	syn
entity_count	1

Entity 3 non-polymer

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

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	301

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6. Citations (2)

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length_a	81.762 Å
length_b	81.762 Å
length_c	113.536 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	2.200 Å
resolution_low	15.000 Å
r_factor	—
r_work	0.1880
r_free	0.2400

fit	/app/data/saxs_computation/b3/1b3x/1b3x.fit
pddf	/app/data/pr_computation/b3/1b3x/1b3x.pr.out
profile	/app/data/saxs_computation/b3/1b3x/1b3x.dat

XYLANASE FROM PENICILLIUM SIMPLICISSIMUM, COMPLEX WITH XYLOTRIOSE

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