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1d0s

;CRYSTAL STRUCTURE OF NICOTINATE MONONUCLEOTIDE : 5,6-DIMETHYLBENZIMIDAZOLE PHOSPHORIBOSYLTRANSFERASE (COBT) FROM SALMONELLA TYPHIMURIUM COMPLEXED WITH 5, 6-DIMETHYLBENZIMIDAZOLE ;

Method: X-RAY DIFFRACTION D_max: 74.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1d0s
deposition_date	1999-09-14
title	;CRYSTAL STRUCTURE OF NICOTINATE MONONUCLEOTIDE : 5,6-DIMETHYLBENZIMIDAZOLE PHOSPHORIBOSYLTRANSFERASE (COBT) FROM SALMONELLA TYPHIMURIUM COMPLEXED WITH 5, 6-DIMETHYLBENZIMIDAZOLE ;
keywords	DINUCLEOTIDE-BINDING MOTIF, PHOSPHORIBOSYL TRANSFERASE, 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	20.97 Å
rg_electron	20.22 Å
i0	21017200.00
molecular_weight	34860.0 kDa
excluded_volume	43668 Å³
envelope_volume	48945 Å³
shell_volume	20805 Å³
envelope_diameter	76.1 Å
shell_rg	26.26 Å
envelope_rg	20.75 Å
shape_rg	20.25 Å
total_rg	20.88 Å
total_atoms	2434
n_residues	346
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	74.9 Å
rg_real	21.02 Å
rg_real_error	0.54 Å
i0_real	2.1020e+07
i0_real_error	2.9150e+05
rg_reciprocal	21.01 Å
i0_reciprocal	21020000.0000
total_estimate	0.8359
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.0 Å
skewness	0.525
kurtosis	0.140
angular_range	— – 0.3800 Å⁻¹
current_alpha	0.0000
highest_alpha	6513000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.655; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.943; Smooth: 0.954

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	NICOTINATE MONONUCLEOTIDE:5,6-DIMETHYLBENZIMIDAZOLE PHOSPHORIBOSYLTRANSFERASE
formula_weight	36645.6 kDa
ec_number	2.4.2.21
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2566

MQTLHALLRDIPAPDAEAMARTQQHIDGLLKPPGSLGRLETLAVQLAGMPGLNGTPQVGEKAVLVMCADHGVWDEGVAVSPKIVTAIQAANMTRGTTGVCVLAAQAGAKVHVIDVGIDAEPIPGVVNMRVARGCGNIAVGPAMSRLQAEALLLEVSRYACDLAQRGVTLFGVGELGMANTTPAAAMVSVFTGSDAKEVVGIGANLPPSRIDNKVDVVRRAIAINQPNPRDGIDVLSKVGGFDLVGMTGVMLGAARCGLPVLLDGFLSYSAALAACQIAPAVRPYLIPSHFSAEKGARIALAHLSMEPYLHMAMRLGEGSGAALAMPIVEAACAMFHNMGELAASNIVLPEGNANAT

Entity 2 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	5,6-DIMETHYLBENZIMIDAZOLE
formula_weight	146.2 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	132

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6. Citations (1)

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length_a	72.100 Å
length_b	90.200 Å
length_c	47.500 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	1.900 Å
resolution_low	30.000 Å
r_factor	—
r_work	0.1720
r_free	—

fit	/app/data/saxs_computation/d0/1d0s/1d0s.fit
pddf	/app/data/pr_computation/d0/1d0s/1d0s.pr.out
profile	/app/data/saxs_computation/d0/1d0s/1d0s.dat

;CRYSTAL STRUCTURE OF NICOTINATE MONONUCLEOTIDE : 5,6-DIMETHYLBENZIMIDAZOLE PHOSPHORIBOSYLTRANSFERASE (COBT) FROM SALMONELLA TYPHIMURIUM COMPLEXED WITH 5, 6-DIMETHYLBENZIMIDAZOLE ;

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