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1ay5

AROMATIC AMINO ACID AMINOTRANSFERASE COMPLEX WITH MALEATE

Method: X-RAY DIFFRACTION D_max: 98.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ay5
deposition_date	1997-11-14
title	AROMATIC AMINO ACID AMINOTRANSFERASE COMPLEX WITH MALEATE
keywords	TRANSFERASE, AMINOTRANSFERASE; 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	28.80 Å
rg_electron	27.93 Å
i0	118990000.00
molecular_weight	85418.0 kDa
excluded_volume	106630 Å³
envelope_volume	127170 Å³
shell_volume	37593 Å³
envelope_diameter	104.4 Å
shell_rg	35.62 Å
envelope_rg	28.18 Å
shape_rg	27.95 Å
total_rg	28.53 Å
total_atoms	5987
n_residues	782
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	98.7 Å
rg_real	28.81 Å
rg_real_error	0.72 Å
i0_real	1.1900e+08
i0_real_error	1.7690e+06
rg_reciprocal	28.81 Å
i0_reciprocal	119000000.0000
total_estimate	0.8675
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	32.3 Å
skewness	0.425
kurtosis	-0.121
angular_range	— – 0.2750 Å⁻¹
current_alpha	0.0000
highest_alpha	60730000.0000
n_real_points	56
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.777; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.964; Smooth: 0.978

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	AROMATIC AMINO ACID AMINOTRANSFERASE
formula_weight	42780.0 kDa
ec_number	2.6.1.57
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6235

MLGNLKPQAPDKILALMGEFRADPRQGKIDLGVGVYKDATGHTPIMRAVHAAEQRMLETETTKTYAGLSGEPEFQKAMGELILGDGLKSETTATLATVGGTGALRQALELARMANPDLRVFVSDPTWPNHVSIMNFMGLPVQTYRYFDAETRGVDFEGMKADLAAAKKGDMVLLHGCCHNPTGANLTLDQWAEIASILEKTGALPLIDLAYQGFGDGLEEDAAGTRLIASRIPEVLIAASCSKNFGIYRERTGCLLALCADAATRELAQGAMAFLNRQTYSFPPFHGAKIVSTVLTTPELRADWMAELEAVRSGMLRLREQLAGELRDLSGSDRFGFVAEHRGMFSRLGATPEQVKRIKEEFGIYMVGDSRINIAGLNDNTIPILARAIIEVGV

Source

organism	Paracoccus denitrificans
ncbi_taxonomy_id	266
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	MALEIC ACID
formula_weight	116.1 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	248

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6. Citations (2)

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length_a	124.480 Å
length_b	121.440 Å
length_c	55.070 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.500 Å
resolution_low	6.000 Å
r_factor	0.1710
r_work	0.1710
r_free	0.2450

fit	/app/data/saxs_computation/ay/1ay5/1ay5.fit
pddf	/app/data/pr_computation/ay/1ay5/1ay5.pr.out
profile	/app/data/saxs_computation/ay/1ay5/1ay5.dat

AROMATIC AMINO ACID AMINOTRANSFERASE COMPLEX WITH MALEATE

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