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1e1a

Crystal structure of DFPase from Loligo vulgaris

Method: X-RAY DIFFRACTION D_max: 58.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e1a
deposition_date	2000-04-28
title	Crystal structure of DFPase from Loligo vulgaris
keywords	PHOSPHOTRIESTERASE, CALCIUM-BINDING SITE, PHOSPHOTRIESTERASE (PTE), SELENOMETIONINE, BETA-PROPELLER; PHOSPHOTRIESTERASE
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	18.97 Å
rg_electron	17.92 Å
i0	21186000.00
molecular_weight	34891.0 kDa
excluded_volume	43517 Å³
envelope_volume	48479 Å³
shell_volume	21542 Å³
envelope_diameter	62.1 Å
shell_rg	25.28 Å
envelope_rg	18.34 Å
shape_rg	17.92 Å
total_rg	18.92 Å
total_atoms	2453
n_residues	312
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	58.3 Å
rg_real	18.81 Å
rg_real_error	0.23 Å
i0_real	2.1190e+07
i0_real_error	2.3250e+05
rg_reciprocal	18.83 Å
i0_reciprocal	21190000.0000
total_estimate	0.8948
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.3 Å
skewness	0.065
kurtosis	-0.481
angular_range	— – 0.4200 Å⁻¹
current_alpha	0.0000
highest_alpha	8317000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.887; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.975; Smooth: 0.992

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	DIISOPROPYLFLUOROPHOSPHATASE
formula_weight	35120.7 kDa
ec_number	3.1.8.2
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2840

MEIPVIEPLFTKVTEDIPGAEGPVFDKNGDFYIVAPEVEVNGKPAGEILRIDLKTGKKTVICKPEVNGYGGIPAGCQCDRDANQLFVADMRLGLLVVQTDGTFEEIAKKDSEGRRMQGCNDCAFDYEGNLWITAPAGEVAPADYTRSMQEKFGSIYCFTTDGQMIQVDTAFQFPNGIAVRHMNDGRPYQLIVAETPTKKLWSYDIKGPAKIENKKVWGHIPGTHEGGADGMDFDEDNNLLVANWGSSHIEVFGPDGGQPKMRIRCPFEKPSNLHFKPQTKTIFVTEHENNAVWKFEWQRNGKKQYCETLKFGIF

Source

organism	LOLIGO VULGARIS
common_name	SQUID
ncbi_taxonomy_id	6622
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	356

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6. Citations (2)

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length_a	42.900 Å
length_b	81.700 Å
length_c	86.200 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.800 Å
resolution_low	100.000 Å
r_factor	0.1763
r_work	0.1763
r_free	0.2180

fit	/app/data/saxs_computation/e1/1e1a/1e1a.fit
pddf	/app/data/pr_computation/e1/1e1a/1e1a.pr.out
profile	/app/data/saxs_computation/e1/1e1a/1e1a.dat

Crystal structure of DFPase from Loligo vulgaris

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