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1e33

Crystal structure of an Arylsulfatase A mutant P426L

Method: X-RAY DIFFRACTION D_max: 71.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e33
deposition_date	2000-06-06
title	Crystal structure of an Arylsulfatase A mutant P426L
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	21.24 Å
i0	42720000.00
molecular_weight	50912.0 kDa
excluded_volume	63658 Å³
envelope_volume	71077 Å³
shell_volume	27040 Å³
envelope_diameter	77.0 Å
shell_rg	29.01 Å
envelope_rg	21.51 Å
shape_rg	21.21 Å
total_rg	22.18 Å
total_atoms	3584
n_residues	480
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	71.2 Å
rg_real	22.16 Å
rg_real_error	0.38 Å
i0_real	4.2720e+07
i0_real_error	5.0210e+05
rg_reciprocal	22.19 Å
i0_reciprocal	42720000.0000
total_estimate	0.8100
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	29.1 Å
skewness	0.158
kurtosis	-0.353
angular_range	— – 0.3550 Å⁻¹
current_alpha	0.0000
highest_alpha	9667000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.849; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Arylsulfatase A
formula_weight	51975.8 kDa
ec_number	3.1.6.8
mutation	P426L
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	P
atom_count	3754

RPPNIVLIFADDLGYGDLGCYGHPSSTTPNLDQLAAGGLRFTDFYVPVSLATPSRAALLTGRLPVRMGMYPGVLVPSSRGGLPLEEVTVAEVLAARGYLTGMAGKWHLGVGPEGAFLPPHQGFHRFLGIPYSHDQGPCQNLTCFPPATPCDGGCDQGLVPIPLLANLSVEAQPPWLPGLEARYMAFAHDLMADAQREDRPFFLYYASHHTHYPQFSGQSFAERSGRGPFGDSLMELDAAVGTLMTAIGDLGLLEETLVIFTADNGPETMRMSRGGCSGLLRCGKGTTYEGGVREPALAFWPGHIAPGVTHELASSLDLLPTLAALAGAPLPNVTLDGFDLSPLLLGTGKSPRQSLFFYPSYPDEVRGVFAVRTGKYKAHFFTQGSAHSDTTADPACHASSSLTAHEPLLLYDLSKDPGENYNLLGGVAGATPEVLQALKQLQLLKAQLDAAVTFGPSQVARGEDPALQICCHPGCTPRPACCHCPDPHA

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	170

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6. Citations (1)

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length_a	131.400 Å
length_b	131.400 Å
length_c	192.000 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	2.500 Å
resolution_low	30.000 Å
r_factor	0.1870
r_work	0.1850
r_free	0.2500

fit	/app/data/saxs_computation/e3/1e33/1e33.fit
pddf	/app/data/pr_computation/e3/1e33/1e33.pr.out
profile	/app/data/saxs_computation/e3/1e33/1e33.dat

Crystal structure of an Arylsulfatase A mutant P426L

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