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10mh

TERNARY STRUCTURE OF HHAI METHYLTRANSFERASE WITH ADOHCY AND HEMIMETHYLATED DNA CONTAINING 5,6-DIHYDRO-5-AZACYTOSINE AT THE TARGET

Method: X-RAY DIFFRACTION D_max: 74.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	10mh
deposition_date	1998-08-10
title	TERNARY STRUCTURE OF HHAI METHYLTRANSFERASE WITH ADOHCY AND HEMIMETHYLATED DNA CONTAINING 5,6-DIHYDRO-5-AZACYTOSINE AT THE TARGET
keywords	TRANSFERASE, METHYLTRANSFERASE, RESTRICTION SYSTEM, COMPLEX (METHYLTRANSFERASE- DNA), TRANSFERASE-DNA COMPLEX; TRANSFERASE/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	22.35 Å
rg_electron	21.31 Å
i0	41069300.00
molecular_weight	44838.0 kDa
excluded_volume	54035 Å³
envelope_volume	67193 Å³
shell_volume	25743 Å³
envelope_diameter	81.0 Å
shell_rg	28.74 Å
envelope_rg	21.66 Å
shape_rg	21.28 Å
total_rg	22.21 Å
total_atoms	3125
n_residues	349
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	74.2 Å
rg_real	22.26 Å
rg_real_error	0.50 Å
i0_real	4.1070e+07
i0_real_error	5.2640e+05
rg_reciprocal	22.28 Å
i0_reciprocal	41070000.0000
total_estimate	0.7978
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	28.1 Å
skewness	0.256
kurtosis	-0.296
angular_range	— – 0.3550 Å⁻¹
current_alpha	0.0000
highest_alpha	8384000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.790; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	;DNA (5'-D(PCPCPAPTPGP(5CM)PGPCPTPGPAPC)-3') ;
formula_weight	3637.4 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	B
atom_count	3254

CCATGCGCTGAC

Entity 2 polymer

description	;DNA (5'-D(PGPTPCPAPGP5NCPGPCPAPTPGPG)-3') ;
formula_weight	3704.4 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	C

GTCAGCGCATGG

Entity 3 polymer

description	PROTEIN (CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI)
formula_weight	37042.2 kDa
ec_number	2.1.1.73
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A

MIEIKDKQLTGLRFIDLFAGLGGFRLALESCGAECVYSNEWDKYAQEVYEMNFGEKPEGDITQVNEKTIPDHDILCAGFPCQAFSISGKQKGFEDSRGTLFFDIARIVREKKPKVVFMENVKNFASHDNGNTLEVVKNTMNELDYSFHAKVLNALDYGIPQKRERIYMICFRNDLNIQNFQFPKPFELNTFVKDLLLPDSEVEHLVIDRKDLVMTNQEIEQTTPKTVRLGIVGKGGQGERIYSTRGIAITLSAYGGGIFAKTGGYLVNGKTRKLHPRECARVMGYPDSYKVHPSTSQAYKQFGNSVVINVLQYIAYNIGSSLNFKPY

Source

organism	Haemophilus haemolyticus
ncbi_taxonomy_id	726
host_organism	Escherichia coli

Entity 4 non-polymer

description	S-ADENOSYL-L-HOMOCYSTEINE
formula_weight	384.4 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	129

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6. Citations (1)

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length_a	99.860 Å
length_b	99.860 Å
length_c	325.200 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	18

space_group	H 3 2
int_tables_number	155
crystal_system	—

resolution	2.550 Å
resolution_low	29.300 Å
r_factor	0.2050
r_work	0.2050
r_free	—

fit	/app/data/saxs_computation/0m/10mh/10mh.fit
pddf	/app/data/pr_computation/0m/10mh/10mh.pr.out
profile	/app/data/saxs_computation/0m/10mh/10mh.dat

TERNARY STRUCTURE OF HHAI METHYLTRANSFERASE WITH ADOHCY AND HEMIMETHYLATED DNA CONTAINING 5,6-DIHYDRO-5-AZACYTOSINE AT THE TARGET

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

Entity 3 polymer

Polymer

Source

Entity 4 non-polymer

Entity 5 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)