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1ahe

ASPARTATE AMINOTRANSFERASE HEXAMUTANT

Method: X-RAY DIFFRACTION D_max: 100.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ahe
deposition_date	1995-02-22
title	ASPARTATE AMINOTRANSFERASE HEXAMUTANT
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	28.38 Å
rg_electron	27.45 Å
i0	125807000.00
molecular_weight	87823.0 kDa
excluded_volume	109510 Å³
envelope_volume	126990 Å³
shell_volume	37845 Å³
envelope_diameter	97.1 Å
shell_rg	35.38 Å
envelope_rg	27.57 Å
shape_rg	27.44 Å
total_rg	28.18 Å
total_atoms	6182
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	100.5 Å
rg_real	28.32 Å
rg_real_error	0.73 Å
i0_real	1.2580e+08
i0_real_error	2.0290e+06
rg_reciprocal	28.34 Å
i0_reciprocal	125800000.0000
total_estimate	0.7793
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	34.1 Å
skewness	0.338
kurtosis	-0.250
angular_range	— – 0.2800 Å⁻¹
current_alpha	0.0001
highest_alpha	52190000.0000
n_real_points	57
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.718; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.972; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ASPARTATE AMINOTRANSFERASE
formula_weight	43637.3 kDa
ec_number	2.6.1.1
mutation	V39L, K41Y, T47I, N69L, T109S, N297S
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6582

MFENITAAPADPILGLADLFRADERPGKINLGIGLYYDETGKIPVLTSVKKAEQYLLENETTKLYLGIDGIPEFGRCTQELLFGKGSALINDKRARTAQTPGGSGALRVAADFLAKNTSVKRVWVSNPSWPNHKSVFNSAGLEVREYAYYDAENHTLDFDALINSLNEAQAGDVVLFHGCCHNPTGIDPTLEQWQTLAQLSVEKGWLPLFDFAYQGFARGLEEDAEGLRAFAAMHKELIVASSYSKNFGLYNERVGACTLVAADSETVDRAFSQMKAAIRANYSSPPAHGASVVATILSNDALRAIWEQELTDMRQRIQRMRQLFVNTLQEKGANRDFSFIIKQNGMFSFSGLTKEQVLRLREEFGVYAVASGRVNVAGMTPDNMAPLCEAIVAVL

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
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	400

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6. Citations (2)

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length_a	85.070 Å
length_b	77.980 Å
length_c	88.860 Å
angle_alpha	90.00 °
angle_beta	118.63 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.300 Å
resolution_low	8.000 Å
r_factor	0.2030
r_work	—
r_free	—

fit	/app/data/saxs_computation/ah/1ahe/1ahe.fit
pddf	/app/data/pr_computation/ah/1ahe/1ahe.pr.out
profile	/app/data/saxs_computation/ah/1ahe/1ahe.dat