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1cjm

HUMAN SULT1A3 WITH SULFATE BOUND

Method: X-RAY DIFFRACTION D_max: 55.7 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cjm
deposition_date	1999-04-18
title	HUMAN SULT1A3 WITH SULFATE BOUND
keywords	SULT1A3, HAST3, SULFOTRANSFERASE, PAP, PAPS, DOPAMINE, TRANSFERASE; TRANSFERASE
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	18.59 Å
rg_electron	17.28 Å
i0	10514100.00
molecular_weight	24917.0 kDa
excluded_volume	31455 Å³
envelope_volume	36234 Å³
shell_volume	17438 Å³
envelope_diameter	57.1 Å
shell_rg	23.44 Å
envelope_rg	17.54 Å
shape_rg	17.26 Å
total_rg	18.35 Å
total_atoms	1765
n_residues	223
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	55.7 Å
rg_real	18.49 Å
rg_real_error	0.33 Å
i0_real	1.0510e+07
i0_real_error	1.1680e+05
rg_reciprocal	18.51 Å
i0_reciprocal	10510000.0000
total_estimate	0.6249
solution_quality	REASONABLE a REASONABLE solution
n_peaks	3
r_peak_primary	22.9 Å
skewness	0.153
kurtosis	-0.468
angular_range	— – 0.4300 Å⁻¹
current_alpha	0.0000
highest_alpha	2347000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.797; Stabil: 0.987; Sysdev: 0.259; Positv: 1.000; Valcen: 0.991; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PROTEIN (ARYL SULFOTRANSFERASE)
formula_weight	34237.1 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1823

MELIQDTSRPPLEYVKGVPLIKYFAEALGPLQSFQARPDDLLINTYPKSGTTWVSQILDMIYQGGDLEKCNRAPIYVRVPFLEVNDPGEPSGLETLKDTPPPRLIKSHLPLALLPQTLLDQKVKVVYVARNPKDVAVSYYHFHRMEKAHPEPGTWDSFLEKFMAGEVSYGSWYQHVQEWWELSRTHPVLYLFYEDMKENPKREIQKILEFVGRSLPEETMDFMVQHTSFKEMKKNPMTNYTTVPQELMDHSISPFMRKGMAGDWKTTFTVAQNERFDADYAEKMAGCSLSFRSEL

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	52

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6. Citations (1)

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length_a	56.400 Å
length_b	56.400 Å
length_c	191.100 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 32 2 1
int_tables_number	154
crystal_system	—

resolution	2.400 Å
resolution_low	100.000 Å
r_factor	—
r_work	0.2760
r_free	0.2880

fit	/app/data/saxs_computation/cj/1cjm/1cjm.fit
pddf	/app/data/pr_computation/cj/1cjm/1cjm.pr.out
profile	/app/data/saxs_computation/cj/1cjm/1cjm.dat

HUMAN SULT1A3 WITH SULFATE BOUND

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