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1c7n

;CRYSTAL STRUCTURE OF CYSTALYSIN FROM TREPONEMA DENTICOLA CONTAINS A PYRIDOXAL 5'-PHOSPHATE COFACTOR ;

Method: X-RAY DIFFRACTION D_max: 205.4 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1c7n
deposition_date	2000-03-16
title	;CRYSTAL STRUCTURE OF CYSTALYSIN FROM TREPONEMA DENTICOLA CONTAINS A PYRIDOXAL 5'-PHOSPHATE COFACTOR ;
keywords	Transferase, Aminotransferase, Pyridoxal phosphate; 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	74.95 Å
rg_electron	75.01 Å
i0	1708210000.00
molecular_weight	366210.0 kDa
excluded_volume	464330 Å³
envelope_volume	711360 Å³
shell_volume	81061 Å³
envelope_diameter	230.9 Å
shell_rg	70.67 Å
envelope_rg	71.24 Å
shape_rg	75.00 Å
total_rg	74.99 Å
total_atoms	25776
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	205.4 Å
rg_real	74.87 Å
rg_real_error	1.36 Å
i0_real	1.7080e+09
i0_real_error	3.7790e+07
rg_reciprocal	74.67 Å
i0_reciprocal	1707000000.0000
total_estimate	0.7238
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	127.2 Å
skewness	-0.081
kurtosis	-1.133
angular_range	— – 0.1050 Å⁻¹
current_alpha	0.0006
highest_alpha	37490000.0000
n_real_points	22
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.578; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.671; 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	28402

MIYDFTTKISRKNLGSLKWDLMYSQNPEVGNEVVPLSVADMEFKNPPELIEGLKKYLDETVLGYTGPTEEYKKTVKKWMKDRHQWDIQTDWIINTAGVVPAVFNAVREFTKPGDGVIIITPVYYPFFMAIKNQERKIIECELLEKDGYYTIDFQKLEKLSKDKNNKALLFCSPHNPVGRVWKKDELQKIKDIVLKSDLMLWSDEIHFDLIMPGYEHTVFQSIDEQLADKTITFTAPSKTFNIAGMGMSNIIIKNPDIRERFTKSRDATSGMPFTTLGYKACEICYKECGKWLDGCIKVIDKNQRIVKDFFEVNHPEIKAPLIEGTYLQWIDFRALKMDHKAMEEFMIHKAQIFFDEGYIFGDGGIGFERINLAAPSSVIQESLERLNKALKDLKNRHLK

Source

organism	Treponema denticola
ncbi_taxonomy_id	158
host_organism	Escherichia coli

Entity 2 non-polymer

description	PYRIDOXAL-5'-PHOSPHATE
formula_weight	247.1 kDa
src_method	syn
entity_count	8

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	2626

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6. Citations (1)

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length_a	89.470 Å
length_b	108.440 Å
length_c	176.090 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	1.900 Å
resolution_low	25.000 Å
r_factor	0.2150
r_work	0.2080
r_free	0.2470

fit	/app/data/saxs_computation/c7/1c7n/1c7n.fit
pddf	/app/data/pr_computation/c7/1c7n/1c7n.pr.out
profile	/app/data/saxs_computation/c7/1c7n/1c7n.dat

;CRYSTAL STRUCTURE OF CYSTALYSIN FROM TREPONEMA DENTICOLA CONTAINS A PYRIDOXAL 5'-PHOSPHATE COFACTOR ;

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