SAXSdb — 1ecx

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1. Structure Basics

entry_id	1ecx
deposition_date	2000-01-26
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	33.56 Å
rg_electron	33.26 Å
i0	100731000.00
molecular_weight	82014.0 kDa
excluded_volume	103660 Å³
envelope_volume	130290 Å³
shell_volume	34191 Å³
envelope_diameter	120.5 Å
shell_rg	38.17 Å
envelope_rg	32.95 Å
shape_rg	33.27 Å
total_rg	33.62 Å
total_atoms	5759
n_residues	729
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	113.0 Å
rg_real	33.77 Å
rg_real_error	1.13 Å
i0_real	1.0070e+08
i0_real_error	1.7420e+06
rg_reciprocal	33.64 Å
i0_reciprocal	100700000.0000
total_estimate	0.8384
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	31.3 Å
skewness	0.485
kurtosis	-0.355
angular_range	— – 0.2350 Å⁻¹
current_alpha	0.0000
highest_alpha	22250000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.835; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.764; Smooth: 0.625

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	AMINOTRANSFERASE
formula_weight	42931.5 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	5938

MRVYFDNNATTRVDDRVLEEMIVFYREKYGNPNSAHGMGIEANLHMEKAREKVAKVLGVSPSEIFFTSCATESINWILKTVAETFEKRKRTIITTPIEHKAVLETMKYLSMKGFKVKYVPVDSRGVVKLEELEKLVDEDTFLVSIMAANNEVGTIQPVEDVTRIVKKKNKETLVHVDAVQTIGKIPFSLEKLEVDYASFSAHKFHGPKGVGITYIRKGVPIRPLIHGGGQERGLRSGTQNVPGIVGAARAMEIAVEELSEAAKHMEKLRSKLVSGLMNLGAHIITPLEISLPNTLSVSFPNIRGSTLQNLLSGYGIYVSTSSACTSKDERLRHVLDAMGVDRRIAQGAIRISLCKYNTEEEVDYFLKKIEEILSFLDLTGNNRR

Source

organism	Thermotoga maritima
ncbi_taxonomy_id	2336
host_organism	Escherichia coli

Entity 2 non-polymer

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

Entity 3 non-polymer

description	CYSTEINE
formula_weight	121.2 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	179

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6. Citations (1)

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length_a	115.410 Å
length_b	115.410 Å
length_c	156.950 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	2.700 Å
resolution_low	34.040 Å
r_factor	0.2070
r_work	0.2070
r_free	0.2560

fit	/app/data/saxs_computation/ec/1ecx/1ecx.fit
pddf	/app/data/pr_computation/ec/1ecx/1ecx.pr.out
profile	/app/data/saxs_computation/ec/1ecx/1ecx.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