SAXSdb — 1a5k

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1. Structure Basics

entry_id	1a5k
deposition_date	1998-02-17
title	K217E VARIANT OF KLEBSIELLA AEROGENES UREASE
keywords	HYDROLASE (UREA AMIDO), MUTANT, NICKEL METALLOENZYME, 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	29.86 Å
rg_electron	28.96 Å
i0	111182000.00
molecular_weight	82342.0 kDa
excluded_volume	102700 Å³
envelope_volume	123930 Å³
shell_volume	36084 Å³
envelope_diameter	104.4 Å
shell_rg	35.84 Å
envelope_rg	29.19 Å
shape_rg	28.97 Å
total_rg	29.55 Å
total_atoms	5787
n_residues	767
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	99.2 Å
rg_real	29.87 Å
rg_real_error	0.70 Å
i0_real	1.1120e+08
i0_real_error	1.6360e+06
rg_reciprocal	29.87 Å
i0_reciprocal	111200000.0000
total_estimate	0.8839
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	35.6 Å
skewness	0.360
kurtosis	-0.281
angular_range	— – 0.2650 Å⁻¹
current_alpha	0.0000
highest_alpha	28880000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.875; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.987; Smooth: 0.874

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	UREASE (GAMMA SUBUNIT)
formula_weight	11100.9 kDa
ec_number	3.5.1.5
mutation	K217E
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5964

MELTPREKDKLLLFTAALVAERRLARGLKLNYPESVALISAFIMEGARDGKSVASLMEEGRHVLTREQVMEGVPEMIPDIQVEATFPDGSKLVTVHNPII

Source

organism	Klebsiella aerogenes
ncbi_taxonomy_id	28451
host_organism	Escherichia coli

Entity 2 polymer

description	UREASE (BETA SUBUNIT)
formula_weight	11125.7 kDa
ec_number	3.5.1.5
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

MIPGEYHVKPGQIALNTGRATCRVVVENHGDRPIQVGSHYHFAEVNPALKFDRQQAAGYRLNIPAGTAVRFEPGQKREVELVAFAGHRAVFGFRGEVMGPL

Source

organism	Klebsiella aerogenes
ncbi_taxonomy_id	28451
host_organism	Escherichia coli

Entity 3 polymer

description	UREASE (ALPHA SUBUNIT)
formula_weight	60235.1 kDa
ec_number	3.5.1.5
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	C

SNISRQAYADMFGPTVGDKVRLADTELWIEVEDDLTTYGEEVKFGGGKVIRDGMGQGQMLAADCVDLVLTNALIVDHWGIVKADIGVKDGRIFAIGKAGNPDIQPNVTIPIGAATEVIAAEGKIVTAGGIDTHIHWICPQQAEEALVSGVTTMVGGGTGPAAGTHATTCTPGPWYISRMLQAADSLPVNIGLLGKGNVSQPDALREQVAAGVIGLEIHEDWGATPAAIDCALTVADEMDIQVALHSDTLNESGFVEDTLAAIGGRTIHTFHTEGAGGGHAPDIITACAHPNILPSSTNPTLPYTLNTIDEHLDMLMVCHHLDPDIAEDVAFAESRIRRETIAAEDVLHDLGAFSLTSSDSQAMGRVGEVILRTWQVAHRMKVQRGALAEETGDNDNFRVKRYIAKYTINPALTHGIAHEVGSIEVGKLADLVVWSPAFFGVKPATVIKGGMIAIAPMGDINASIPTPQPVHYRPMFGALGSARHHCRLTFLSQAAAANGVAERLNLRSAIAVVKGCRTVQKADMVHNSLQPNITVDAQTYEVRVDGELITSEPADVLPMAQRYFLF

Source

organism	Klebsiella aerogenes
ncbi_taxonomy_id	28451
host_organism	Escherichia coli

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	177

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6. Citations (3)

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length_a	170.800 Å
length_b	170.800 Å
length_c	170.800 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	24

space_group	I 21 3
int_tables_number	199
crystal_system	—

resolution	2.200 Å
resolution_low	10.000 Å
r_factor	0.1780
r_work	0.1780
r_free	—

fit	/app/data/saxs_computation/a5/1a5k/1a5k.fit
pddf	/app/data/pr_computation/a5/1a5k/1a5k.pr.out
profile	/app/data/saxs_computation/a5/1a5k/1a5k.dat

K217E VARIANT OF KLEBSIELLA AEROGENES UREASE

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

5. Entities & Polymer Info (4)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 polymer

Polymer

Source

Entity 4 water

6. Citations (3)

7. Files & Curves (10)

Files (7)

Curves (3)