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1ej2

Crystal structure of methanobacterium thermoautotrophicum nicotinamide mononucleotide adenylyltransferase with bound NAD+

Method: X-RAY DIFFRACTION D_max: 42.6 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ej2
deposition_date	2000-02-29
title	Crystal structure of methanobacterium thermoautotrophicum nicotinamide mononucleotide adenylyltransferase with bound NAD+
keywords	;DINUCLEOTIDE BINDING FOLD, Structural Genomics, PSI, Protein Structure Initiative, Midwest Center for Structural Genomics, MCSG, Northeast Structural Genomics Consortium, NESG, TRANSFERASE ;; TRANSFERASE
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	16.71 Å
rg_electron	15.53 Å
i0	7568850.00
molecular_weight	19840.0 kDa
excluded_volume	24664 Å³
envelope_volume	26990 Å³
shell_volume	14621 Å³
envelope_diameter	51.3 Å
shell_rg	21.53 Å
envelope_rg	15.81 Å
shape_rg	15.54 Å
total_rg	16.49 Å
total_atoms	1390
n_residues	167
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	42.6 Å
rg_real	16.21 Å
rg_real_error	0.03 Å
i0_real	7.2380e+06
i0_real_error	5.0350e+04
rg_reciprocal	16.64 Å
i0_reciprocal	7569000.0000
total_estimate	0.6834
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	19.9 Å
skewness	0.134
kurtosis	-0.508
angular_range	— – 0.4750 Å⁻¹
current_alpha	5.6030
highest_alpha	1222000.0000
n_real_points	78
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.999; Stabil: 0.964; Sysdev: 0.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	NICOTINAMIDE MONONUCLEOTIDE ADENYLYLTRANSFERASE
formula_weight	20596.8 kDa
ec_number	2.7.7.1
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1510

MMTMRGLLVGRMQPFHRGHLQVIKSILEEVDELIICIGSAQLSHSIRDPFTAGERVMMLTKALSENGIPASRYYIIPVQDIECNALWVGHIKMLTPPFDRVYSGNPLVQRLFSEDGYEVTAPPLFYRDRYSGTEVRRRMLDDGDWRSLLPESVVEVIDEINGVERIKHLAKKEVSELGGIS

Source

organism	Methanothermobacter thermautotrophicus
ncbi_taxonomy_id	145262
host_organism	Escherichia coli

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
formula_weight	663.4 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	120

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6. Citations (1)

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length_a	89.084 Å
length_b	89.084 Å
length_c	109.926 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 63 2 2
int_tables_number	182
crystal_system	—

resolution	1.900 Å
resolution_low	28.300 Å
r_factor	0.2110
r_work	0.2110
r_free	0.2410

fit	/app/data/saxs_computation/ej/1ej2/1ej2.fit
pddf	/app/data/pr_computation/ej/1ej2/1ej2.pr.out
profile	/app/data/saxs_computation/ej/1ej2/1ej2.dat