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1eon

;ECORV BOUND TO 3'-S-PHOSPHOROTHIOLATE DNA AND CA2+ ;

Method: X-RAY DIFFRACTION D_max: 79.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eon
deposition_date	2000-03-23
title	;ECORV BOUND TO 3'-S-PHOSPHOROTHIOLATE DNA AND CA2+ ;
keywords	protein-nucleic acid recognition, restriction enzyme, DNA analog, metal ion catalysis, hydrolase-DNA COMPLEX; hydrolase/DNA
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	23.81 Å
rg_electron	23.34 Å
i0	64049100.00
molecular_weight	59846.0 kDa
excluded_volume	73489 Å³
envelope_volume	84610 Å³
shell_volume	29656 Å³
envelope_diameter	80.8 Å
shell_rg	30.98 Å
envelope_rg	23.50 Å
shape_rg	23.38 Å
total_rg	24.03 Å
total_atoms	4215
n_residues	490
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	79.7 Å
rg_real	23.71 Å
rg_real_error	0.51 Å
i0_real	6.4050e+07
i0_real_error	8.4810e+05
rg_reciprocal	23.73 Å
i0_reciprocal	64050000.0000
total_estimate	0.7998
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	29.9 Å
skewness	0.264
kurtosis	-0.322
angular_range	— – 0.3350 Å⁻¹
current_alpha	0.0000
highest_alpha	16380000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.798; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	;DNA (5'-D(APAPAPGPAP(TSP)PAPTPCPTP*T)-3') ;
formula_weight	3372.3 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	C
atom_count	4587

AAAGATATCTT

Entity 2 polymer

description	;DNA (5'-D(CPAPAPGPAP(TSP)PAPTPCPTP*T)-3') ;
formula_weight	3348.3 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	D

CAAGATATCTT

Entity 3 polymer

description	TYPE II RESTRICTION ENZYME ECORV
formula_weight	28690.4 kDa
ec_number	3.1.21.4
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B

MSLRSDLINALYDENQKYDVCGIISAEGKIYPLGSDTKVLSTIFELFSRPIINKIAEKHGYIVEEPKQQNHYPDFTLYKPSEPNKKIAIDIKTTYTNKENEKIKFTLGGYTSFIRNNTKNIVYPFDQYIAHWIIGYVYTRVATRKSSLKTYNINELNEIPKPYKGVKVFLQDKWVIAGDLAGSGNTTNIGSIHAHYKDFVEGKGIFDSEDEFLDYWRNYERTSQLRNDKYNNISEYRNWIYRGRK

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 4 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	4

Entity 5 non-polymer

description	ACETIC ACID
formula_weight	60.1 kDa
src_method	syn
entity_count	2

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	357

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6. Citations (1)

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length_a	47.900 Å
length_b	48.600 Å
length_c	63.900 Å
angle_alpha	96.90 °
angle_beta	108.90 °
angle_gamma	106.80 °
z_pdb	2

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	1.600 Å
resolution_low	4.800 Å
r_factor	0.2300
r_work	0.2290
r_free	0.2810

fit	/app/data/saxs_computation/eo/1eon/1eon.fit
pddf	/app/data/pr_computation/eo/1eon/1eon.pr.out
profile	/app/data/saxs_computation/eo/1eon/1eon.dat

;ECORV BOUND TO 3'-S-PHOSPHOROTHIOLATE DNA AND CA2+ ;

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

5. Entities & Polymer Info (6)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 polymer

Polymer

Source

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)