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1c7o

;CRYSTAL STRUCTURE OF CYSTALYSIN FROM TREPONEMA DENTICOLA CONTAINS A PYRIDOXAL 5'-PHOSPHATE-L-AMINOETHOXYVINYLGLYCINE COMPLEX ;

Method: X-RAY DIFFRACTION D_max: 199.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1c7o
deposition_date	2000-03-16
title	;CRYSTAL STRUCTURE OF CYSTALYSIN FROM TREPONEMA DENTICOLA CONTAINS A PYRIDOXAL 5'-PHOSPHATE-L-AMINOETHOXYVINYLGLYCINE COMPLEX ;
keywords	Transferase, Aminotransferase; 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	66.49 Å
rg_electron	67.20 Å
i0	1742980000.00
molecular_weight	367470.0 kDa
excluded_volume	465780 Å³
envelope_volume	672510 Å³
shell_volume	87217 Å³
envelope_diameter	223.3 Å
shell_rg	62.59 Å
envelope_rg	64.26 Å
shape_rg	67.19 Å
total_rg	67.13 Å
total_atoms	25864
n_residues	3152
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	199.8 Å
rg_real	67.04 Å
rg_real_error	1.80 Å
i0_real	1.7430e+09
i0_real_error	3.5490e+07
rg_reciprocal	65.90 Å
i0_reciprocal	1739000000.0000
total_estimate	0.8219
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	74.9 Å
skewness	0.311
kurtosis	-0.800
angular_range	— – 0.1200 Å⁻¹
current_alpha	0.0000
highest_alpha	44110000.0000
n_real_points	25
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.935; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.879; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	CYSTALYSIN
formula_weight	46278.4 kDa
src_method	man
entity_count	8

Polymer

type	polypeptide(L)
strand_id	A,B,C,D,E,F,G,H
atom_count	27138

MIYDFTTKISRKNLGSLKWDLMYSQNPEVGNEVVPLSVADMEFKNPPELIEGLKKYLDETVLGYTGPTEEYKKTVKKWMKDRHQWDIQTDWIINTAGVVPAVFNAVREFTKPGDGVIIITPVYYPFFMAIKNQERKIIECELLEKDGYYTIDFQKLEKLSKDKNNKALLFCSPHNPVGRVWKKDELQKIKDIVLKSDLMLWSDEIHFDLIMPGYEHTVFQSIDEQLADKTITFTAPSKTFNIAGMGMSNIIIKNPDIRERFTKSRDATSGMPFTTLGYKACEICYKECGKWLDGCIKVIDKNQRIVKDFFEVNHPEIKAPLIEGTYLQWIDFRALKMDHKAMEEFMIHKAQIFFDEGYIFGDGGIGFERINLAAPSSVIQESLERLNKALKDLKNRHLK

Source

organism	Treponema denticola
ncbi_taxonomy_id	158
host_organism	Escherichia coli

Entity 2 non-polymer

description	(2E,3E)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid
formula_weight	389.3 kDa
src_method	syn
entity_count	8

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1274

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6. Citations (1)

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length_a	89.373 Å
length_b	107.929 Å
length_c	176.156 Å
angle_alpha	90.00 °
angle_beta	90.17 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.500 Å
resolution_low	20.000 Å
r_factor	0.2010
r_work	0.1930
r_free	0.2600

fit	/app/data/saxs_computation/c7/1c7o/1c7o.fit
pddf	/app/data/pr_computation/c7/1c7o/1c7o.pr.out
profile	/app/data/saxs_computation/c7/1c7o/1c7o.dat

;CRYSTAL STRUCTURE OF CYSTALYSIN FROM TREPONEMA DENTICOLA CONTAINS A PYRIDOXAL 5'-PHOSPHATE-L-AMINOETHOXYVINYLGLYCINE COMPLEX ;

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