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1e6p

Chitinase B from Serratia marcescens inactive mutant E144Q

Method: X-RAY DIFFRACTION D_max: 122.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e6p
deposition_date	2000-08-22
title	Chitinase B from Serratia marcescens inactive mutant E144Q
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	36.92 Å
rg_electron	36.37 Å
i0	191523000.00
molecular_weight	112380.0 kDa
excluded_volume	140370 Å³
envelope_volume	171350 Å³
shell_volume	40098 Å³
envelope_diameter	123.0 Å
shell_rg	41.60 Å
envelope_rg	36.26 Å
shape_rg	36.34 Å
total_rg	36.77 Å
total_atoms	7935
n_residues	995
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	122.0 Å
rg_real	37.16 Å
rg_real_error	1.20 Å
i0_real	1.9150e+08
i0_real_error	2.8950e+06
rg_reciprocal	37.02 Å
i0_reciprocal	191500000.0000
total_estimate	0.8328
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	34.0 Å
skewness	0.409
kurtosis	-0.699
angular_range	— – 0.2150 Å⁻¹
current_alpha	0.0000
highest_alpha	31160000.0000
n_real_points	44
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.717; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.794; Smooth: 0.877

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	CHITINASE B
formula_weight	55517.0 kDa
mutation	YES
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	9127

MSTRKAVIGYYFIPTNQINNYTETDTSVVPFPVSNITPAKAKQLTHINFSFLDINSNLECAWDPATNDAKARDVVNRLTALKAHNPSLRIMFSIGGWYYSNDLGVSHANYVNAVKTPASRAKFAQSCVRIMKDYGFDGVDIDWQYPQAAEVDGFIAALQEIRTLLNQQTITDGRQALPYQLTIAGAGGAFFLSRYYSKLAQIVAPLDYINLMTYDLAGPWEKVTNHQAALFGDAAGPTFYNALREANLGWSWEELTRAFPSPFSLTVDAAVQQHLMMEGVPSAKIVMGVPFYGRAFKGVSGGNGGQYSSHSTPGEDPYPSTDYWLVGCEECVRDKDPRIASYRQLEQMLQGNYGYQRLWNDKTKTPYLYHAQNGLFVTYDDAESFKYKAKYIKQQQLGGVMFWHLGQDNRNGDLLAALDRYFNAADYDDSQLDMGTGLRYTGVGPGNLPIMTAPAYVPGTTYAQGALVSYQGYVWQTKWGYITSAPGSDSAWLKVGRVA

Source

organism	SERRATIA MARCESCENS
ncbi_taxonomy_id	615
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	18

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	3

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1112

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6. Citations (1)

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length_a	56.134 Å
length_b	104.138 Å
length_c	186.654 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	1.700 Å
resolution_low	29.810 Å
r_factor	0.1820
r_work	0.1820
r_free	0.2260

fit	/app/data/saxs_computation/e6/1e6p/1e6p.fit
pddf	/app/data/pr_computation/e6/1e6p/1e6p.pr.out
profile	/app/data/saxs_computation/e6/1e6p/1e6p.dat

Chitinase B from Serratia marcescens inactive mutant E144Q

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