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1cze

ASPARTATE AMINOTRANSFERASE MUTANT ATB17/139S/142N WITH SUCCINIC ACID

Method: X-RAY DIFFRACTION D_max: 68.2 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cze
deposition_date	1999-09-02
title	ASPARTATE AMINOTRANSFERASE MUTANT ATB17/139S/142N WITH SUCCINIC ACID
keywords	ASPARTATE AMINOTRANSFERASE, SUBSTRATE SPECIFICITY, 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	22.54 Å
rg_electron	21.42 Å
i0	33527700.00
molecular_weight	43958.0 kDa
excluded_volume	54756 Å³
envelope_volume	65503 Å³
shell_volume	25051 Å³
envelope_diameter	68.6 Å
shell_rg	28.57 Å
envelope_rg	21.77 Å
shape_rg	21.39 Å
total_rg	22.35 Å
total_atoms	3095
n_residues	396
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	68.2 Å
rg_real	22.43 Å
rg_real_error	0.30 Å
i0_real	3.3530e+07
i0_real_error	3.7590e+05
rg_reciprocal	22.46 Å
i0_reciprocal	33530000.0000
total_estimate	0.9103
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	27.9 Å
skewness	0.181
kurtosis	-0.494
angular_range	— – 0.3500 Å⁻¹
current_alpha	0.0000
highest_alpha	7047000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.951; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.986

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ASPARTATE AMINOTRANSFERASE
formula_weight	43662.2 kDa
ec_number	2.6.1.1
mutation	A11T,F24L,N34D,I37M,K41N,K126R,A269T,A293V, N297S,S311G,I353T,S361F,S363G, V387L,M397L
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3198

MFENITTAPADPILGLADLLRADERPGKIDLGMGVYNDETGKTPVLTSVKKAEQYLLENETTKNYLGIDGIPEFGRCTQELLFGKGSALINDKRARTAQTPGGTGALRVAADFLAKNTSVRRVWVSNPSWPNHKSVFNSAGLEVREYAYYDAENHTLDFDALINSLNEAQAGDVVLFHGCCHNPTGIDPTLEQWQTLAQLSVEKGWLPLFDFAYQGFARGLEEDAEGLRAFAAMHKELIVASSYSKNFGLYNERVGTCTLVAADSETVDRAFSQMKAAIRVNYSSPPAHGASVVATILGNDALRAIWEQELTDMRQRIQRMRQLFVNTLQEKGANRDFSFTIKQNGMFFFGGLTKEQVLRLREEFGVYAVASGRLNVAGMTPDNLAPLCEAIVAVL

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	SUCCINIC ACID
formula_weight	118.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	103

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6. Citations (3)

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length_a	156.640 Å
length_b	85.060 Å
length_c	78.300 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	2.400 Å
resolution_low	10.000 Å
r_factor	0.1950
r_work	0.1890
r_free	0.2440

fit	/app/data/saxs_computation/cz/1cze/1cze.fit
pddf	/app/data/pr_computation/cz/1cze/1cze.pr.out
profile	/app/data/saxs_computation/cz/1cze/1cze.dat

ASPARTATE AMINOTRANSFERASE MUTANT ATB17/139S/142N WITH SUCCINIC ACID

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