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1b42

VACCINIA METHYLTRANSFERASE VP39 COMPLEXED WITH M1ADE AND S-ADENOSYLHOMOCYSTEINE

Method: X-RAY DIFFRACTION D_max: 61.6 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b42
deposition_date	1999-01-05
title	VACCINIA METHYLTRANSFERASE VP39 COMPLEXED WITH M1ADE AND S-ADENOSYLHOMOCYSTEINE
keywords	;METHYLATED ADENINE, METHYLTRANSFERASE, RNA CAP ANALOG, POLY (A) POLYMERASE, VACCINIA, MRNA PROCESSING, TRANSCRIPTION, COMPLEX (TRANSFERASE-RNA CAP ANALOG) ;; METHYLTRANSFERASE
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	20.18 Å
rg_electron	19.01 Å
i0	18773300.00
molecular_weight	34551.0 kDa
excluded_volume	43918 Å³
envelope_volume	49483 Å³
shell_volume	21261 Å³
envelope_diameter	63.3 Å
shell_rg	25.76 Å
envelope_rg	19.26 Å
shape_rg	19.01 Å
total_rg	19.96 Å
total_atoms	2969
n_residues	291
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	61.6 Å
rg_real	20.05 Å
rg_real_error	0.29 Å
i0_real	1.8770e+07
i0_real_error	2.3110e+05
rg_reciprocal	20.08 Å
i0_reciprocal	18770000.0000
total_estimate	0.9026
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	25.5 Å
skewness	0.128
kurtosis	-0.493
angular_range	— – 0.3950 Å⁻¹
current_alpha	0.0000
highest_alpha	4842000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.921; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.983; Smooth: 0.982

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	VP39
formula_weight	34819.3 kDa
ec_number	2.7.7.19
mutation	C-TERMINAL DELETION OF 26 RESIDUES
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3494

MDVVSLDKPFMYFEEIDNELDYEPESANEVAKKLPYQGQLKLLLGELFFLSKLQRHGILDGATVVYIGSAPGTHIRYLRDHFYNLGVIIKWMLIDGRHHDPILNGLRDVTLVTRFVDEEYLRSIKKQLHPSKIILISDVRSKRGGNEPSTADLLSNYALQNVMISILNPVASSLKWRCPFPDQWIKDFYIPHGNKMLQPFAPSYSAEMRLLSIYTGENMRLTRVTKSDAVNYEKKMYYLNKIVRNKVVVNFDYPNQEYDYFHMYFMLRTVYCNKTFPTTKAKVLFLQQSIFRFLNIP

Source

organism	Vaccinia virus
ncbi_taxonomy_id	10245
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

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

Entity 3 non-polymer

description	6-AMINO-1-METHYLPURINE
formula_weight	150.2 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	175

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6. Citations (1)

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length_a	84.907 Å
length_b	66.997 Å
length_c	79.741 Å
angle_alpha	90.00 °
angle_beta	117.30 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.200 Å
resolution_low	8.000 Å
r_factor	0.2060
r_work	0.2060
r_free	0.2560

fit	/app/data/saxs_computation/b4/1b42/1b42.fit
pddf	/app/data/pr_computation/b4/1b42/1b42.pr.out
profile	/app/data/saxs_computation/b4/1b42/1b42.dat

VACCINIA METHYLTRANSFERASE VP39 COMPLEXED WITH M1ADE AND S-ADENOSYLHOMOCYSTEINE

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