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1ay8

AROMATIC AMINO ACID AMINOTRANSFERASE COMPLEX WITH 3-PHENYLPROPIONATE

Method: X-RAY DIFFRACTION D_max: 99.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ay8
deposition_date	1997-11-14
title	AROMATIC AMINO ACID AMINOTRANSFERASE COMPLEX WITH 3-PHENYLPROPIONATE
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	28.93 Å
rg_electron	28.05 Å
i0	118337000.00
molecular_weight	85336.0 kDa
excluded_volume	106600 Å³
envelope_volume	126810 Å³
shell_volume	37421 Å³
envelope_diameter	104.8 Å
shell_rg	35.63 Å
envelope_rg	28.30 Å
shape_rg	28.08 Å
total_rg	28.65 Å
total_atoms	5982
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	99.1 Å
rg_real	28.95 Å
rg_real_error	0.62 Å
i0_real	1.1830e+08
i0_real_error	1.5730e+06
rg_reciprocal	28.94 Å
i0_reciprocal	118300000.0000
total_estimate	0.8684
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	32.4 Å
skewness	0.427
kurtosis	-0.127
angular_range	— – 0.2750 Å⁻¹
current_alpha	0.0000
highest_alpha	58170000.0000
n_real_points	56
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.782; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.963; Smooth: 0.976

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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	6310

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	HYDROCINNAMIC ACID
formula_weight	150.2 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	328

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6. Citations (2)

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length_a	124.230 Å
length_b	121.810 Å
length_c	55.270 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	2.300 Å
resolution_low	6.000 Å
r_factor	0.1810
r_work	0.1810
r_free	0.2390

fit	/app/data/saxs_computation/ay/1ay8/1ay8.fit
pddf	/app/data/pr_computation/ay/1ay8/1ay8.pr.out
profile	/app/data/saxs_computation/ay/1ay8/1ay8.dat

AROMATIC AMINO ACID AMINOTRANSFERASE COMPLEX WITH 3-PHENYLPROPIONATE

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