SAXSdb — 1a5l

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1. Structure Basics

entry_id	1a5l
deposition_date	1998-02-17
title	K217C 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	29.59 Å
rg_electron	28.64 Å
i0	102169000.00
molecular_weight	78849.0 kDa
excluded_volume	98425 Å³
envelope_volume	118990 Å³
shell_volume	35084 Å³
envelope_diameter	101.3 Å
shell_rg	35.45 Å
envelope_rg	28.88 Å
shape_rg	28.65 Å
total_rg	29.26 Å
total_atoms	5542
n_residues	737
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	95.5 Å
rg_real	29.58 Å
rg_real_error	0.64 Å
i0_real	1.0220e+08
i0_real_error	1.5400e+06
rg_reciprocal	29.59 Å
i0_reciprocal	102200000.0000
total_estimate	0.8950
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	35.4 Å
skewness	0.322
kurtosis	-0.341
angular_range	— – 0.2700 Å⁻¹
current_alpha	0.0000
highest_alpha	26040000.0000
n_real_points	55
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.917; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.883

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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	K217C, C319A
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5731

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	60209.1 kDa
ec_number	3.5.1.5
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	C

SNISRQAYADMFGPTVGDKVRLADTELWIEVEDDLTTYGEEVKFGGGKVIRDGMGQGQMLAADCVDLVLTNALIVDHWGIVKADIGVKDGRIFAIGKAGNPDIQPNVTIPIGAATEVIAAEGKIVTAGGIDTHIHWICPQQAEEALVSGVTTMVGGGTGPAAGTHATTCTPGPWYISRMLQAADSLPVNIGLLGKGNVSQPDALREQVAAGVIGLCIHEDWGATPAAIDCALTVADEMDIQVALHSDTLNESGFVEDTLAAIGGRTIHTFHTEGAGGGHAPDIITACAHPNILPSSTNPTLPYTLNTIDEHLDMLMVCHHLDPDIAEDVAFAESRIRRETIAAEDVLHDLGAFSLTSSDSQAMGRVGEVILRTWQVAHRMKVQRGALAEETGDNDNFRVKRYIAKYTINPALTHGIAHEVGSIEVGKLADLVVWSPAFFGVKPATVIKGGMIAIAPMGDINASIPTPQPVHYRPMFGALGSARHHCRLTFLSQAAAANGVAERLNLRSAIAVVKGCRTVQKADMVHNSLQPNITVDAQTYEVRVDGELITSEPADVLPMAQRYFLF

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	183

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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	0.1860
r_work	0.1860
r_free	—

fit	/app/data/saxs_computation/a5/1a5l/1a5l.fit
pddf	/app/data/pr_computation/a5/1a5l/1a5l.pr.out
profile	/app/data/saxs_computation/a5/1a5l/1a5l.dat

K217C 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)