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1eyw

THREE-DIMENSIONAL STRUCTURE OF THE ZINC-CONTAINING PHOSPHOTRIESTERASE WITH BOUND SUBSTRATE ANALOG TRIETHYLPHOSPHATE

Method: X-RAY DIFFRACTION D_max: 59.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eyw
deposition_date	2000-05-09
title	THREE-DIMENSIONAL STRUCTURE OF THE ZINC-CONTAINING PHOSPHOTRIESTERASE WITH BOUND SUBSTRATE ANALOG TRIETHYLPHOSPHATE
keywords	HYDROLASE, ORGANOPHOSPHATE, ZINC; 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	19.53 Å
rg_electron	18.40 Å
i0	22290200.00
molecular_weight	36206.0 kDa
excluded_volume	45436 Å³
envelope_volume	50625 Å³
shell_volume	22050 Å³
envelope_diameter	60.9 Å
shell_rg	25.64 Å
envelope_rg	18.71 Å
shape_rg	18.41 Å
total_rg	19.34 Å
total_atoms	2544
n_residues	329
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	59.6 Å
rg_real	19.35 Å
rg_real_error	0.30 Å
i0_real	2.2290e+07
i0_real_error	2.4570e+05
rg_reciprocal	19.38 Å
i0_reciprocal	22290000.0000
total_estimate	0.8153
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	24.4 Å
skewness	0.080
kurtosis	-0.465
angular_range	— – 0.4050 Å⁻¹
current_alpha	0.0000
highest_alpha	7184000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.874; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 0.980; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	PHOSPHOTRIESTERASE
formula_weight	35960.0 kDa
ec_number	3.1.8.1
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2768

DRINTVRGPITISEAGFTLTHEHICGSSAGFLRAWPEFFGSRKALAEKAVRGLRRARAAGVRTIVDVSTFDIGRDVSLLAEVSRAADVHIVAATGLWFDPPLSMRLRSVEELTQFFLREIQYGIEDTGIRAGIIKVATTGKATPFQELVLKAAARASLATGVPVTTHTAASQRDGEQQAAIFESEGLSPSRVCIGHSDDTDDLSYLTALAARGYLIGLDHIPHSAIGLEDNASASALLGIRSWQTRALLIKALIDQGYMKQILVSNDWLFGFSSYVTNIMDVMDRVNPDGMAFIPLRVIPFLREKGVPQETLAGITVTNPARFLSPTLRAS

Source

organism	Brevundimonas diminuta
ncbi_taxonomy_id	293
host_organism	Escherichia coli

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	TRIETHYL PHOSPHATE
formula_weight	182.2 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	2-PHENYL-ETHANOL
formula_weight	122.2 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	221

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6. Citations (1)

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length_a	128.620 Å
length_b	92.330 Å
length_c	69.850 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	1.900 Å
resolution_low	20.000 Å
r_factor	0.1480
r_work	—
r_free	—

fit	/app/data/saxs_computation/ey/1eyw/1eyw.fit
pddf	/app/data/pr_computation/ey/1eyw/1eyw.pr.out
profile	/app/data/saxs_computation/ey/1eyw/1eyw.dat