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1c9c

;ASPARTATE AMINOTRANSFERASE COMPLEXED WITH C3-PYRIDOXAL-5'-PHOSPHATE ;

Method: X-RAY DIFFRACTION D_max: 69.2 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1c9c
deposition_date	1999-08-02
title	;ASPARTATE AMINOTRANSFERASE COMPLEXED WITH C3-PYRIDOXAL-5'-PHOSPHATE ;
keywords	ENZYME-SUBSTRATE COMPLEX, 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	22.67 Å
rg_electron	21.52 Å
i0	33517000.00
molecular_weight	43887.0 kDa
excluded_volume	54703 Å³
envelope_volume	65625 Å³
shell_volume	25043 Å³
envelope_diameter	70.1 Å
shell_rg	28.70 Å
envelope_rg	21.85 Å
shape_rg	21.50 Å
total_rg	22.48 Å
total_atoms	3090
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	69.2 Å
rg_real	22.57 Å
rg_real_error	0.29 Å
i0_real	3.3520e+07
i0_real_error	4.1380e+05
rg_reciprocal	22.59 Å
i0_reciprocal	33520000.0000
total_estimate	0.9094
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	27.3 Å
skewness	0.197
kurtosis	-0.481
angular_range	— – 0.3500 Å⁻¹
current_alpha	0.0000
highest_alpha	7221000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.944; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.993

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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	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3207

MFENITAAPADPILGLADLFRADERPGKINLGIGVYKDETGKTPVLTSVKKAEQYLLENETTKNYLGIDGIPEFGRCTQELLFGKGSALINDKRARTAQTPGGTGALRVAADFLAKNTSVKRVWVSNPSWPNHKSVFNSAGLEVREYAYYDAENHTLDFDALINSLNEAQAGDVVLFHGCCHNPTGIDPTLEQWQTLAQLSVEKGWLPLFDFAYQGFARGLEEDAEGLRAFAAMHKELIVASSYSKNFGLYNERVGACTLVAADSETVDRAFSQMKAAIRANYSNPPAHGASVVATILSNDALRAIWEQELTDMRQRIQRMRQLFVNTLQEKGANRDFSFIIKQNGMFSFSGLTKEQVLRLREEFGVYAVASGRVNVAGMTPDNMAPLCEAIVAVL

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	ALANYL-PYRIDOXAL-5'-PHOSPHATE
formula_weight	320.2 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	117

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6. Citations (1)

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length_a	156.980 Å
length_b	87.270 Å
length_c	79.730 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	—
r_work	0.2020
r_free	0.2690

fit	/app/data/saxs_computation/c9/1c9c/1c9c.fit
pddf	/app/data/pr_computation/c9/1c9c/1c9c.pr.out
profile	/app/data/saxs_computation/c9/1c9c/1c9c.dat

;ASPARTATE AMINOTRANSFERASE COMPLEXED WITH C3-PYRIDOXAL-5'-PHOSPHATE ;

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