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1e6z

CHITINASE B FROM SERRATIA MARCESCENS WILDTYPE IN COMPLEX WITH CATALYTIC INTERMEDIATE

Method: X-RAY DIFFRACTION D_max: 120.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e6z
deposition_date	2000-08-23
title	CHITINASE B FROM SERRATIA MARCESCENS WILDTYPE IN COMPLEX WITH CATALYTIC INTERMEDIATE
keywords	HYDROLASE, CHITIN DEGRADATION, CATALYTIC INTERMEDIATE; 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	36.89 Å
rg_electron	36.38 Å
i0	191269000.00
molecular_weight	111970.0 kDa
excluded_volume	139680 Å³
envelope_volume	170600 Å³
shell_volume	40037 Å³
envelope_diameter	123.1 Å
shell_rg	41.59 Å
envelope_rg	36.13 Å
shape_rg	36.35 Å
total_rg	36.79 Å
total_atoms	7911
n_residues	996
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	120.8 Å
rg_real	37.12 Å
rg_real_error	1.02 Å
i0_real	1.9130e+08
i0_real_error	3.4270e+06
rg_reciprocal	36.98 Å
i0_reciprocal	191200000.0000
total_estimate	0.8321
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	33.7 Å
skewness	0.401
kurtosis	-0.708
angular_range	— – 0.2150 Å⁻¹
current_alpha	0.0000
highest_alpha	32810000.0000
n_real_points	44
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.745; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.801; Smooth: 0.779

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	CHITINASE B
formula_weight	55386.8 kDa
ec_number	3.2.1.14
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	8889

STRKAVIGYYFIPTNQINNYTETDTSVVPFPVSNITPAKAKQLTHINFSFLDINSNLECAWDPATNDAKARDVVNRLTALKAHNPSLRIMFSIGGWYYSNDLGVSHANYVNAVKTPASRAKFAQSCVRIMKDYGFDGVDIDWEYPQAAEVDGFIAALQEIRTLLNQQTITDGRQALPYQLTIAGAGGAFFLSRYYSKLAQIVAPLDYINLMTYDLAGPWEKVTNHQAALFGDAAGPTFYNALREANLGWSWEELTRAFPSPFSLTVDAAVQQHLMMEGVPSAKIVMGVPFYGRAFKGVSGGNGGQYSSHSTPGEDPYPSTDYWLVGCEECVRDKDPRIASYRQLEQMLQGNYGYQRLWNDKTKTPYLYHAQNGLFVTYDDAESFKYKAKYIKQQQLGGVMFWHLGQDNRNGDLLAALDRYFNAADYDDSQLDMGTGLRYTGVGPGNLPIMTAPAYVPGTTYAQGALVSYQGYVWQTKWGYITSAPGSDSAWLKVGRVA

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
formula_weight	424.4 kDa
src_method	man
entity_count	1

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE
formula_weight	204.2 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	221.2 kDa
src_method	man
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	933

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6. Citations (1)

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length_a	55.801 Å
length_b	103.811 Å
length_c	186.359 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	1.990 Å
resolution_low	47.870 Å
r_factor	0.1870
r_work	0.1870
r_free	0.2250

fit	/app/data/saxs_computation/e6/1e6z/1e6z.fit
pddf	/app/data/pr_computation/e6/1e6z/1e6z.pr.out
profile	/app/data/saxs_computation/e6/1e6z/1e6z.dat