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1e6n

Chitinase B from Serratia marcescens inactive mutant E144Q in complex with N-acetylglucosamine-pentamer

Method: X-RAY DIFFRACTION D_max: 119.4 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e6n
deposition_date	2000-08-21
title	Chitinase B from Serratia marcescens inactive mutant E144Q in complex with N-acetylglucosamine-pentamer
keywords	CHITIN DEGRADATION, HYDROLASE, GLYCOSIDASE; 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	36.85 Å
rg_electron	36.33 Å
i0	199631000.00
molecular_weight	113360.0 kDa
excluded_volume	140940 Å³
envelope_volume	170900 Å³
shell_volume	40085 Å³
envelope_diameter	122.7 Å
shell_rg	41.63 Å
envelope_rg	36.07 Å
shape_rg	36.30 Å
total_rg	36.74 Å
total_atoms	7992
n_residues	993
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	119.4 Å
rg_real	37.09 Å
rg_real_error	0.90 Å
i0_real	1.9960e+08
i0_real_error	3.6770e+06
rg_reciprocal	36.95 Å
i0_reciprocal	199600000.0000
total_estimate	0.6027
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	33.3 Å
skewness	0.404
kurtosis	-0.723
angular_range	— – 0.2150 Å⁻¹
current_alpha	0.0000
highest_alpha	39140000.0000
n_real_points	44
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.742; Stabil: 1.000; Sysdev: 0.048; Positv: 1.000; Valcen: 0.797; Smooth: 0.663

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	CHITINASE B
formula_weight	55517.0 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	8440

MSTRKAVIGYYFIPTNQINNYTETDTSVVPFPVSNITPAKAKQLTHINFSFLDINSNLECAWDPATNDAKARDVVNRLTALKAHNPSLRIMFSIGGWYYSNDLGVSHANYVNAVKTPASRAKFAQSCVRIMKDYGFDGVDIDWQYPQAAEVDGFIAALQEIRTLLNQQTITDGRQALPYQLTIAGAGGAFFLSRYYSKLAQIVAPLDYINLMTYDLAGPWEKVTNHQAALFGDAAGPTFYNALREANLGWSWEELTRAFPSPFSLTVDAAVQQHLMMEGVPSAKIVMGVPFYGRAFKGVSGGNGGQYSSHSTPGEDPYPSTDYWLVGCEECVRDKDPRIASYRQLEQMLQGNYGYQRLWNDKTKTPYLYHAQNGLFVTYDDAESFKYKAKYIKQQQLGGVMFWHLGQDNRNGDLLAALDRYFNAADYDDSQLDMGTGLRYTGVGPGNLPIMTAPAYVPGTTYAQGALVSYQGYVWQTKWGYITSAPGSDSAWLKVGRVA

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 ;
formula_weight	1034.0 kDa
src_method	man
entity_count	2

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	12

Entity 4 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	441

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6. Citations (1)

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length_a	55.732 Å
length_b	104.476 Å
length_c	186.676 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.250 Å
resolution_low	38.580 Å
r_factor	0.1890
r_work	0.1890
r_free	0.2390

fit	/app/data/saxs_computation/e6/1e6n/1e6n.fit
pddf	/app/data/pr_computation/e6/1e6n/1e6n.pr.out
profile	/app/data/saxs_computation/e6/1e6n/1e6n.dat