SAXSdb — 1eg5

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1. Structure Basics

entry_id	1eg5
deposition_date	2000-02-13
title	NIFS-LIKE PROTEIN
keywords	PLP-DEPENDENT ENZYMES, IRON-SULFUR-CLUSTER SYNTHESIS, C-S BETA LYASE, 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	27.56 Å
rg_electron	27.07 Å
i0	110170000.00
molecular_weight	83050.0 kDa
excluded_volume	103850 Å³
envelope_volume	120340 Å³
shell_volume	36455 Å³
envelope_diameter	91.7 Å
shell_rg	35.31 Å
envelope_rg	27.36 Å
shape_rg	27.06 Å
total_rg	27.85 Å
total_atoms	5757
n_residues	707
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	89.6 Å
rg_real	27.53 Å
rg_real_error	0.52 Å
i0_real	1.1020e+08
i0_real_error	1.6480e+06
rg_reciprocal	27.54 Å
i0_reciprocal	110200000.0000
total_estimate	0.8878
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	30.9 Å
skewness	0.361
kurtosis	-0.306
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	66440000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.871; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.923

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	AMINOTRANSFERASE
formula_weight	43447.4 kDa
mutation	M1(MSE),M21(MSE),M38(MSE),M46(MSE),M106(MSE),M111(MSE),M146(MSE),M251(MSE),M265(MSE),M277(MSE),M338(MSE)
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6012

MRVYFDNNATTRVDDRVLEEMIVFYREKYGNPNSAHGMGIEANLHMEKAREKVAKVLGVSPSEIFFTSCATESINWILKTVAETFEKRKRTIITTPIEHKAVLETMKYLSMKGFKVKYVPVDSRGVVKLEELEKLVDEDTFLVSIMAANNEVGTIQPVEDVTRIVKKKNKETLVHVDAVQTIGKIPFSLEKLEVDYASFSAHKFHGPKGVGITYIRKGVPIRPLIHGGGQERGLRSGTQNVPGIVGAARAMEIAVEELSEAAKHMEKLRSKLVSGLMNLGAHIITPLEISLPNTLSVSFPNIRGSTLQNLLSGYGIYVSTSSACTSKDERLRHVLDAMGVDRRIAQGAIRISLCKYNTEEEVDYFLKKIEEILSFLDLTGNNRR

Source

organism	Thermotoga maritima
ncbi_taxonomy_id	2336
host_organism	Escherichia coli

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	PYRIDOXAL-5'-PHOSPHATE
formula_weight	247.1 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	255

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6. Citations (1)

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length_a	114.110 Å
length_b	114.110 Å
length_c	156.960 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 31 2 1
int_tables_number	152
crystal_system	—

resolution	2.000 Å
resolution_low	35.920 Å
r_factor	0.2110
r_work	0.2110
r_free	0.2320

fit	/app/data/saxs_computation/eg/1eg5/1eg5.fit
pddf	/app/data/pr_computation/eg/1eg5/1eg5.pr.out
profile	/app/data/saxs_computation/eg/1eg5/1eg5.dat

NIFS-LIKE PROTEIN

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