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1a0i

ATP-DEPENDENT DNA LIGASE FROM BACTERIOPHAGE T7 COMPLEX WITH ATP

Method: X-RAY DIFFRACTION D_max: 85.2 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a0i
deposition_date	1997-12-01
title	ATP-DEPENDENT DNA LIGASE FROM BACTERIOPHAGE T7 COMPLEX WITH ATP
keywords	LIGASE, DNA REPLICATION; LIGASE
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	23.73 Å
rg_electron	23.19 Å
i0	25308500.00
molecular_weight	38562.0 kDa
excluded_volume	48221 Å³
envelope_volume	57765 Å³
shell_volume	21560 Å³
envelope_diameter	87.0 Å
shell_rg	29.16 Å
envelope_rg	23.61 Å
shape_rg	23.22 Å
total_rg	23.82 Å
total_atoms	2710
n_residues	332
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	85.2 Å
rg_real	23.82 Å
rg_real_error	0.77 Å
i0_real	2.5310e+07
i0_real_error	3.8820e+05
rg_reciprocal	23.80 Å
i0_reciprocal	25310000.0000
total_estimate	0.5652
solution_quality	REASONABLE a REASONABLE solution
n_peaks	3
r_peak_primary	23.9 Å
skewness	0.441
kurtosis	-0.265
angular_range	— – 0.3350 Å⁻¹
current_alpha	0.0000
highest_alpha	5588000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.699; Stabil: 0.996; Sysdev: 0.154; Positv: 1.000; Valcen: 0.798; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	DNA LIGASE
formula_weight	39888.5 kDa
ec_number	6.5.1.1
mutation	M2V
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2903

VNIKTNPFKAVSFVESAIKKALDNAGYLIAEIKYDGVRGNICVDNTANSYWLSRVSKTIPALEHLNGFDVRWKRLLNDDRCFYKDGFMLDGELMVKGVDFNTGSGLLRTKWTDTKNQEFHEELFVEPIRKKDKVPFKLHTGHLHIKLYAILPLHIVESGEDCDVMTLLMQEHVKNMLPLLQEYFPEIEWQAAESYEVYDMVELQQLYEQKRAEGHEGLIVKDPMCIYKRGKKSGWWKMKPENEADGIIQGLVWGTKGLANEGKVIGFEVLLESGRLVNATNISRALMDEFTETVKEATLSQWGFFSPYGIGDNDACTINPYDGWACQISYMEETPDGSLRHPSFVMFR

Source

organism	Enterobacteria phage T7
ncbi_taxonomy_id	10760
host_organism	Escherichia coli

Entity 2 non-polymer

description	ADENOSINE-5'-TRIPHOSPHATE
formula_weight	507.2 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	193

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6. Citations (1)

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length_a	64.700 Å
length_b	85.200 Å
length_c	79.100 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	2.600 Å
resolution_low	10.000 Å
r_factor	0.2220
r_work	0.2220
r_free	0.3410

fit	/app/data/saxs_computation/a0/1a0i/1a0i.fit
pddf	/app/data/pr_computation/a0/1a0i/1a0i.pr.out
profile	/app/data/saxs_computation/a0/1a0i/1a0i.dat

ATP-DEPENDENT DNA LIGASE FROM BACTERIOPHAGE T7 COMPLEX WITH ATP

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