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1eib

CRYSTAL STRUCTURE OF CHITINASE A MUTANT D313A COMPLEXED WITH OCTA-N-ACETYLCHITOOCTAOSE (NAG)8.

Method: X-RAY DIFFRACTION D_max: 102.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eib
deposition_date	2000-02-25
title	CRYSTAL STRUCTURE OF CHITINASE A MUTANT D313A COMPLEXED WITH OCTA-N-ACETYLCHITOOCTAOSE (NAG)8.
keywords	TIM BARREL, PROTEIN-OLIGOSACCHARIDE COMPLEX, HYDROLASE; 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	27.16 Å
rg_electron	26.50 Å
i0	58759500.00
molecular_weight	60186.0 kDa
excluded_volume	75287 Å³
envelope_volume	87728 Å³
shell_volume	29331 Å³
envelope_diameter	107.3 Å
shell_rg	31.78 Å
envelope_rg	27.16 Å
shape_rg	26.49 Å
total_rg	27.05 Å
total_atoms	4247
n_residues	540
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	102.2 Å
rg_real	27.48 Å
rg_real_error	1.06 Å
i0_real	5.8760e+07
i0_real_error	1.1010e+06
rg_reciprocal	27.38 Å
i0_reciprocal	58760000.0000
total_estimate	0.7835
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	30.0 Å
skewness	0.749
kurtosis	0.419
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	15530000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.480; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.792; Smooth: 0.949

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	CHITINASE A
formula_weight	58595.6 kDa
ec_number	3.2.1.14
mutation	D313A
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5159

AAPGKPTIAWGNTKFAIVEVDQAATAYNNLVKVKNAADVSVSWNLWNGDTGTTAKVLLNGKEAWSGPSTGSSGTANFKVNKGGRYQMQVALCNADGCTASDATEIVVADTDGSHLAPLKEPLLEKNKPYKQNSGKVVGSYFVEWGVYGRNFTVDKIPAQNLTHLLYGFIPICGGNGINDSLKEIEGSFQALQRSCQGREDFKVSIHDPFAALQKAQKGVTAWDDPYKGNFGQLMALKQAHPDLKILPSIGGWTLSDPFFFMGDKVKRDRFVGSVKEFLQTWKFFDGVDIAWEFPGGKGANPNLGSPQDGETYVLLMKELRAMLDQLSVETGRKYELTSAISAGKDKIDKVAYNVAQNSMDHIFLMSYDFYGAFDLKNLGHQTALNAPAWKPDTAYTTVNGVNALLAQGVKPGKIVVGTAMYGRGWTGVNGYQNNIPFTGTATGPVKGTWENGIVDYRQIAGQFMSGEWQYTYDATAEAPYVFKPSTGDLITFDDARSVQAKGKYVLDKQLGGLFSWEIDADNGDILNSMNASLGNSAGVQ

Source

organism	Serratia marcescens
ncbi_taxonomy_id	615
host_organism	Escherichia coli

Entity 2 branched

description	;2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ;
formula_weight	1643.6 kDa
src_method	man
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	863

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6. Citations (3)

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length_a	201.602 Å
length_b	132.171 Å
length_c	59.529 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	1.800 Å
resolution_low	10.000 Å
r_factor	0.1800
r_work	0.1780
r_free	0.2170

fit	/app/data/saxs_computation/ei/1eib/1eib.fit
pddf	/app/data/pr_computation/ei/1eib/1eib.pr.out
profile	/app/data/saxs_computation/ei/1eib/1eib.dat

CRYSTAL STRUCTURE OF CHITINASE A MUTANT D313A COMPLEXED WITH OCTA-N-ACETYLCHITOOCTAOSE (NAG)8.

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