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1a6q

CRYSTAL STRUCTURE OF THE PROTEIN SERINE/THREONINE PHOSPHATASE 2C AT 2 A RESOLUTION

Method: X-RAY DIFFRACTION D_max: 77.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a6q
deposition_date	1998-02-27
title	CRYSTAL STRUCTURE OF THE PROTEIN SERINE/THREONINE PHOSPHATASE 2C AT 2 A RESOLUTION
keywords	CATALYTIC MECHANISM, METALLOENZYME, PROTEIN PHOSPHATASE 2C, SIGNAL TRANSDUCTUIN, 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	22.73 Å
rg_electron	22.05 Å
i0	30413100.00
molecular_weight	40435.0 kDa
excluded_volume	49779 Å³
envelope_volume	59054 Å³
shell_volume	22765 Å³
envelope_diameter	78.5 Å
shell_rg	28.56 Å
envelope_rg	22.55 Å
shape_rg	22.08 Å
total_rg	22.76 Å
total_atoms	2828
n_residues	363
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	77.9 Å
rg_real	22.75 Å
rg_real_error	0.49 Å
i0_real	3.0410e+07
i0_real_error	4.3450e+05
rg_reciprocal	22.75 Å
i0_reciprocal	30410000.0000
total_estimate	0.8701
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.0 Å
skewness	0.418
kurtosis	-0.206
angular_range	— – 0.3500 Å⁻¹
current_alpha	0.0000
highest_alpha	5867000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.784; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.977; Smooth: 0.977

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PHOSPHATASE 2C
formula_weight	42502.7 kDa
ec_number	3.1.3.16
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3031

MGAFLDKPKMEKHNAQGQGNGLRYGLSSMQGWRVEMEDAHTAVIGLPSGLESWSFFAVYDGHAGSQVAKYCCEHLLDHITNNQDFKGSAGAPSVENVKNGIRTGFLEIDEHMRVMSEKKHGADRSGSTAVGVLISPQHTYFINCGDSRGLLCRNRKVHFFTQDHKPSNPLEKERIQNAGGSVMIQRVNGSLAVSRALGDFDYKCVHGKGPTEQLVSPEPEVHDIERSEEDDQFIILACDGIWDVMGNEELCDFVRSRLEVTDDLEKVCNEVVDTCLYKGSRDNMSVILICFPNAPKVSPEAVKKEAELDKYLECRVEEIIKKQGEGVPDLVHVMRTLASENIPSLPPGGELASKRNVIEAVYNRLNPYKNDDTDSTSTDDMW

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	MANGANESE (II) ION
formula_weight	54.9 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	203

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6. Citations (1)

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length_a	91.020 Å
length_b	91.020 Å
length_c	105.610 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	2.000 Å
resolution_low	6.000 Å
r_factor	0.2140
r_work	0.2140
r_free	—

fit	/app/data/saxs_computation/a6/1a6q/1a6q.fit
pddf	/app/data/pr_computation/a6/1a6q/1a6q.pr.out
profile	/app/data/saxs_computation/a6/1a6q/1a6q.dat

CRYSTAL STRUCTURE OF THE PROTEIN SERINE/THREONINE PHOSPHATASE 2C AT 2 A RESOLUTION

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