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1ecv

CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH 5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID

Method: X-RAY DIFFRACTION D_max: 63.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ecv
deposition_date	2000-01-26
title	CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH 5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID
keywords	HYDROLASE, PHOSPHORYLATION, LIGAND, INHIBITOR; 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	19.98 Å
rg_electron	18.87 Å
i0	21903800.00
molecular_weight	35048.0 kDa
excluded_volume	43535 Å³
envelope_volume	48611 Å³
shell_volume	21114 Å³
envelope_diameter	66.9 Å
shell_rg	25.74 Å
envelope_rg	19.26 Å
shape_rg	18.86 Å
total_rg	19.80 Å
total_atoms	2483
n_residues	297
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	63.9 Å
rg_real	19.89 Å
rg_real_error	0.38 Å
i0_real	2.1900e+07
i0_real_error	2.6340e+05
rg_reciprocal	19.90 Å
i0_reciprocal	21900000.0000
total_estimate	0.8124
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	25.2 Å
skewness	0.219
kurtosis	-0.317
angular_range	— – 0.4000 Å⁻¹
current_alpha	0.0000
highest_alpha	5054000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.853; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN-TYROSINE PHOSPHATASE 1B
formula_weight	34720.6 kDa
ec_number	3.1.3.48
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2724

MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKTYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLDMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHED

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	ACETATE ION
formula_weight	59.0 kDa
src_method	syn
entity_count	3

Entity 3 non-polymer

description	5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID
formula_weight	335.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	241

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6. Citations (1)

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length_a	87.870 Å
length_b	87.870 Å
length_c	103.120 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 31 2 1
int_tables_number	152
crystal_system	—

resolution	1.950 Å
resolution_low	6.000 Å
r_factor	—
r_work	0.1940
r_free	0.2490

fit	/app/data/saxs_computation/ec/1ecv/1ecv.fit
pddf	/app/data/pr_computation/ec/1ecv/1ecv.pr.out
profile	/app/data/saxs_computation/ec/1ecv/1ecv.dat

CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH 5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID

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