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1c0n

CSDB PROTEIN, NIFS HOMOLOGUE

Method: X-RAY DIFFRACTION D_max: 80.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1c0n
deposition_date	1999-07-17
title	CSDB PROTEIN, NIFS HOMOLOGUE
keywords	ALPHA/BETA FOLD, LYASE; LYASE
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	23.16 Å
rg_electron	22.11 Å
i0	33104000.00
molecular_weight	44067.0 kDa
excluded_volume	54980 Å³
envelope_volume	63785 Å³
shell_volume	24103 Å³
envelope_diameter	82.8 Å
shell_rg	28.96 Å
envelope_rg	22.47 Å
shape_rg	22.13 Å
total_rg	22.85 Å
total_atoms	3102
n_residues	404
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	80.8 Å
rg_real	23.12 Å
rg_real_error	0.51 Å
i0_real	3.3100e+07
i0_real_error	4.0610e+05
rg_reciprocal	23.13 Å
i0_reciprocal	33100000.0000
total_estimate	0.8652
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.1 Å
skewness	0.305
kurtosis	-0.330
angular_range	— – 0.3450 Å⁻¹
current_alpha	0.0000
highest_alpha	7569000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.762; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.978; Smooth: 0.979

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PROTEIN (CSDB PROTEIN)
formula_weight	44077.0 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3102

MIFSVDAVRADFPVLSREVNGLPLAYLDSAASAQKPSQVIDAEAEFYRHGYAAVHAGAHTLSAQATEKMENVRKRASLFINARSAEELVFVRGTTEGINLVANSWGNSNVRAGDNIIISQMEHHANIVPWQMLCARVGAELRVIPLNPDGTLQLETLPTLFDAATRLLAITHVSNVLGTENPLAEMITLAHQHGAKVLVDGAQAVMHHPVDVQALDCDFYVFSGHKLYGPTGIGILYVKEALLQEMPPWEGGGSMIATVSLSEGTTWTKAPWRFEAGTPNTGGIIGLGAALEYVSALGLNNIAEYEQNLMHYALSQLESVPDLTLYGPQARLGVIAFNLGAHHAYDVGSFLDNYGIAVRTGHHCAMPLMAYYNVPAMCRASLAMYNTHEEVDRLVTGLQRIHRLLG

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	PYRIDOXAL-5'-PHOSPHATE
formula_weight	247.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	ACETIC ACID
formula_weight	60.1 kDa
src_method	syn
entity_count	1

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6. Citations (2)

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length_a	128.100 Å
length_b	128.100 Å
length_c	137.000 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

resolution	2.800 Å
resolution_low	8.000 Å
r_factor	0.1900
r_work	0.1870
r_free	0.2390

fit	/app/data/saxs_computation/c0/1c0n/1c0n.fit
pddf	/app/data/pr_computation/c0/1c0n/1c0n.pr.out
profile	/app/data/saxs_computation/c0/1c0n/1c0n.dat

CSDB PROTEIN, NIFS HOMOLOGUE

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