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1arg

;Aspartate aminotransferase, phospho-5'-pyridoxyl aspartate complex ;

Method: X-RAY DIFFRACTION D_max: 95.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1arg
deposition_date	1995-08-23
title	;Aspartate aminotransferase, phospho-5'-pyridoxyl aspartate complex ;
keywords	TRANSFERASE (AMINOTRANSFERASE); TRANSFERASE (AMINOTRANSFERASE)
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	28.40 Å
rg_electron	27.48 Å
i0	126671000.00
molecular_weight	87861.0 kDa
excluded_volume	109470 Å³
envelope_volume	127980 Å³
shell_volume	38056 Å³
envelope_diameter	98.9 Å
shell_rg	35.45 Å
envelope_rg	27.60 Å
shape_rg	27.47 Å
total_rg	28.22 Å
total_atoms	6186
n_residues	792
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	95.2 Å
rg_real	28.33 Å
rg_real_error	0.58 Å
i0_real	1.2670e+08
i0_real_error	1.6960e+06
rg_reciprocal	28.36 Å
i0_reciprocal	126700000.0000
total_estimate	0.8783
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	34.0 Å
skewness	0.335
kurtosis	-0.251
angular_range	— – 0.2800 Å⁻¹
current_alpha	0.0000
highest_alpha	51510000.0000
n_real_points	57
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.818; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.963

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	ASPARTATE AMINOTRANSFERASE
formula_weight	43619.2 kDa
ec_number	2.6.1.1
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6688

MFENITAAPADPILGLADLFRADERPGKINLGIGVYKDETGKTPVLTSVKKAEQYLLENETTKNYLGIDGIPEFGRCTQELLFGKGSALINDKRARTAQTPGGTGALRVAADFLAKNTSVKRVWVSNPSWPNHKSVFNSAGLEVREYAYYDAENHTLDFDALINSLNEAQAGDVVLFHGCCHNPTGIDPTLEQWQTLAQLSVEKGWLPLFDFAYQGFARGLEEDAEGLRAFAAMHKELIVASSYSKNFGLYNERVGACTLVAADSETVDRAFSQMKAAIRANYSNPPAHGASVVATILSNDALRAIWEQELTDMRQRIQRMRQLFVNTLQEKGANRDFSFIIKQNGMFSFSGLTKEQVLRLREEFGVYAVASGRVNVAGMTPDNMAPLCEAIVAVL

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYLENE)-AMINO]-SUCCINIC ACID
formula_weight	364.2 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	502

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6. Citations (1)

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length_a	85.390 Å
length_b	78.950 Å
length_c	89.290 Å
angle_alpha	90.00 °
angle_beta	118.54 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.200 Å
resolution_low	8.000 Å
r_factor	0.1980
r_work	—
r_free	—

fit	/app/data/saxs_computation/ar/1arg/1arg.fit
pddf	/app/data/pr_computation/ar/1arg/1arg.pr.out
profile	/app/data/saxs_computation/ar/1arg/1arg.dat

;Aspartate aminotransferase, phospho-5'-pyridoxyl aspartate 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