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1e1z

Crystal structure of an Arylsulfatase A mutant C69S

Method: X-RAY DIFFRACTION D_max: 71.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e1z
deposition_date	2000-05-12
title	Crystal structure of an Arylsulfatase A mutant C69S
keywords	HYDROLASE, CEREBROSIDE-3-SULFATE HYDROLYSIS, LYSOSOMAL ENZYME, FORMYLGLYCINE; 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	22.29 Å
rg_electron	21.25 Å
i0	42156000.00
molecular_weight	50690.0 kDa
excluded_volume	63434 Å³
envelope_volume	71105 Å³
shell_volume	27044 Å³
envelope_diameter	77.0 Å
shell_rg	28.97 Å
envelope_rg	21.50 Å
shape_rg	21.23 Å
total_rg	22.19 Å
total_atoms	3569
n_residues	481
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	71.9 Å
rg_real	22.16 Å
rg_real_error	0.34 Å
i0_real	4.2160e+07
i0_real_error	5.3800e+05
rg_reciprocal	22.19 Å
i0_reciprocal	42160000.0000
total_estimate	0.8778
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	70.8 Å
skewness	0.152
kurtosis	-0.364
angular_range	— – 0.3550 Å⁻¹
current_alpha	0.0000
highest_alpha	9320000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.842; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.987; Smooth: 0.896

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Arylsulfatase A
formula_weight	51942.8 kDa
ec_number	3.1.6.8
mutation	C69S
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	P
atom_count	3740

RPPNIVLIFADDLGYGDLGCYGHPSSTTPNLDQLAAGGLRFTDFYVPVSLSTPSRAALLTGRLPVRMGMYPGVLVPSSRGGLPLEEVTVAEVLAARGYLTGMAGKWHLGVGPEGAFLPPHQGFHRFLGIPYSHDQGPCQNLTCFPPATPCDGGCDQGLVPIPLLANLSVEAQPPWLPGLEARYMAFAHDLMADAQRQDRPFFLYYASHHTHYPQFSGQSFAERSGRGPFGDSLMELDAAVGTLMTAIGDLGLLEETLVIFTADNGPETMRMSRGGCSGLLRCGKGTTYEGGVREPALAFWPGHIAPGVTHELASSLDLLPTLAALAGAPLPNVTLDGFDLSPLLLGTGKSPRQSLFFYPSYPDEVRGVFAVRTGKYKAHFFTQGSAHSDTTADPACHASSSLTAHEPPLLYDLSKDPGENYNLLGGVAGATPEVLQALKQLQLLKAQLDAAVTFGPSQVARGEDPALQICCHPGCTPRPACCHCPDPHA

Source

organism	Homo sapiens
common_name	Human
ncbi_taxonomy_id	9606
host_organism	Mus musculus

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	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	171

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6. Citations (1)

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length_a	131.750 Å
length_b	131.750 Å
length_c	192.200 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	I 4 2 2
int_tables_number	97
crystal_system	—

resolution	2.400 Å
resolution_low	30.000 Å
r_factor	0.1960
r_work	0.1930
r_free	0.2430

fit	/app/data/saxs_computation/e1/1e1z/1e1z.fit
pddf	/app/data/pr_computation/e1/1e1z/1e1z.pr.out
profile	/app/data/saxs_computation/e1/1e1z/1e1z.dat

Crystal structure of an Arylsulfatase A mutant C69S

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