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1eo3

;INHIBITION OF ECORV ENDONUCLEASE BY DEOXYRIBO-3'-S-PHOSPHOROTHIOLATES: A HIGH RESOLUTION X-RAY CRYSTALLOGRAPHIC STUDY ;

Method: X-RAY DIFFRACTION D_max: 78.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eo3
deposition_date	2000-03-21
title	;INHIBITION OF ECORV ENDONUCLEASE BY DEOXYRIBO-3'-S-PHOSPHOROTHIOLATES: A HIGH RESOLUTION X-RAY CRYSTALLOGRAPHIC STUDY ;
keywords	Protein-DNA complex, restriction endonuclease, DNA analog, 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	23.96 Å
rg_electron	23.46 Å
i0	64337600.00
molecular_weight	60113.0 kDa
excluded_volume	73891 Å³
envelope_volume	85410 Å³
shell_volume	29814 Å³
envelope_diameter	80.7 Å
shell_rg	30.97 Å
envelope_rg	23.61 Å
shape_rg	23.48 Å
total_rg	24.16 Å
total_atoms	4236
n_residues	496
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	78.4 Å
rg_real	23.86 Å
rg_real_error	0.42 Å
i0_real	6.4340e+07
i0_real_error	8.6190e+05
rg_reciprocal	23.88 Å
i0_reciprocal	64340000.0000
total_estimate	0.8856
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	29.4 Å
skewness	0.259
kurtosis	-0.339
angular_range	— – 0.3300 Å⁻¹
current_alpha	0.0000
highest_alpha	14740000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.837; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.997

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	;DNA (5'-D(CPAPAPGPAP(TSP)PAPTPCPTP*T)-3') ;
formula_weight	3348.3 kDa
src_method	syn
entity_count	2

Polymer

type	polydeoxyribonucleotide
strand_id	C,D
atom_count	4533

CAAGATATCTT

Entity 2 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 3 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	ACETIC ACID
formula_weight	60.1 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	297

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6. Citations (1)

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length_a	48.000 Å
length_b	48.500 Å
length_c	63.800 Å
angle_alpha	97.00 °
angle_beta	108.90 °
angle_gamma	106.30 °
z_pdb	2

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	2.000 Å
resolution_low	4.900 Å
r_factor	0.2000
r_work	0.1960
r_free	0.2900

fit	/app/data/saxs_computation/eo/1eo3/1eo3.fit
pddf	/app/data/pr_computation/eo/1eo3/1eo3.pr.out
profile	/app/data/saxs_computation/eo/1eo3/1eo3.dat

;INHIBITION OF ECORV ENDONUCLEASE BY DEOXYRIBO-3'-S-PHOSPHOROTHIOLATES: A HIGH RESOLUTION X-RAY CRYSTALLOGRAPHIC STUDY ;

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 (5)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)