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1e6r

Chitinase B from Serratia marcescens wildtype in complex with inhibitor allosamidin

Method: X-RAY DIFFRACTION D_max: 118.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e6r
deposition_date	2000-08-22
title	Chitinase B from Serratia marcescens wildtype in complex with inhibitor allosamidin
keywords	HYDROLASE, CHITIN DEGRADATION, INHIBITOR ALLOSAMIDIN; 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	36.70 Å
rg_electron	36.15 Å
i0	189273000.00
molecular_weight	111600.0 kDa
excluded_volume	139270 Å³
envelope_volume	167100 Å³
shell_volume	39480 Å³
envelope_diameter	121.9 Å
shell_rg	41.41 Å
envelope_rg	35.86 Å
shape_rg	36.12 Å
total_rg	36.59 Å
total_atoms	7886
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	118.4 Å
rg_real	36.93 Å
rg_real_error	1.04 Å
i0_real	1.8930e+08
i0_real_error	3.1560e+06
rg_reciprocal	36.79 Å
i0_reciprocal	189200000.0000
total_estimate	0.8251
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	33.0 Å
skewness	0.396
kurtosis	-0.730
angular_range	— – 0.2150 Å⁻¹
current_alpha	0.0000
highest_alpha	31640000.0000
n_real_points	44
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.758; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.812; Smooth: 0.637

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	CHITINASE B
formula_weight	55518.0 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	8236

MSTRKAVIGYYFIPTNQINNYTETDTSVVPFPVSNITPAKAKQLTHINFSFLDINSNLECAWDPATNDAKARDVVNRLTALKAHNPSLRIMFSIGGWYYSNDLGVSHANYVNAVKTPASRAKFAQSCVRIMKDYGFDGVDIDWEYPQAAEVDGFIAALQEIRTLLNQQTITDGRQALPYQLTIAGAGGAFFLSRYYSKLAQIVAPLDYINLMTYDLAGPWEKVTNHQAALFGDAAGPTFYNALREANLGWSWEELTRAFPSPFSLTVDAAVQQHLMMEGVPSAKIVMGVPFYGRAFKGVSGGNGGQYSSHSTPGEDPYPSTDYWLVGCEECVRDKDPRIASYRQLEQMLQGNYGYQRLWNDKTKTPYLYHAQNGLFVTYDDAESFKYKAKYIKQQQLGGVMFWHLGQDNRNGDLLAALDRYFNAADYDDSQLDMGTGLRYTGVGPGNLPIMTAPAYVPGTTYAQGALVSYQGYVWQTKWGYITSAPGSDSAWLKVGRVA

Source

organism	SERRATIA MARCESCENS
ncbi_taxonomy_id	615
host_organism	ESCHERICHIA COLI

Entity 2 branched

description	2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose
formula_weight	424.4 kDa
src_method	man
entity_count	2

Entity 3 non-polymer

description	ALLOSAMIZOLINE
formula_weight	216.2 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	4

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	350

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6. Citations (1)

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length_a	55.476 Å
length_b	103.427 Å
length_c	185.010 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	2.500 Å
resolution_low	24.900 Å
r_factor	0.1980
r_work	0.1980
r_free	0.2550

fit	/app/data/saxs_computation/e6/1e6r/1e6r.fit
pddf	/app/data/pr_computation/e6/1e6r/1e6r.pr.out
profile	/app/data/saxs_computation/e6/1e6r/1e6r.dat