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9upq

Structure of 3-amino-3-carboxyltransferase

Method: X-RAY DIFFRACTION D_max: 93.8 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9upq
deposition_date	2025-04-28
last_revision	2026-04-29
title	Structure of 3-amino-3-carboxyltransferase
keywords	3-amino-3-carboxyltransferase, nocardicin, biosynthesis, 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	28.39 Å
rg_electron	27.45 Å
i0	66621800.00
molecular_weight	61931.0 kDa
excluded_volume	76727 Å³
envelope_volume	96262 Å³
shell_volume	30230 Å³
envelope_diameter	101.0 Å
shell_rg	34.02 Å
envelope_rg	27.85 Å
shape_rg	27.44 Å
total_rg	28.14 Å
total_atoms	4359
n_residues	580
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	93.8 Å
rg_real	28.56 Å
rg_real_error	0.82 Å
i0_real	6.6620e+07
i0_real_error	1.1100e+06
rg_reciprocal	28.51 Å
i0_reciprocal	66620000.0000
total_estimate	0.6606
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	28.5 Å
skewness	0.477
kurtosis	-0.380
angular_range	— – 0.2800 Å⁻¹
current_alpha	0.0000
highest_alpha	14400000.0000
n_real_points	57
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.818; Stabil: 1.000; Sysdev: 0.109; Positv: 1.000; Valcen: 0.913; Smooth: 0.890

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Isonocardicin synthase
formula_weight	35517.9 kDa
ec_number	2.5.1.38
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4849

MKHHHHHHHSDYDIPTTENLYFQGSMTALSRVSGQAPDRVVETYAEGKPYDLFFLDVAGVRLVGRKTEAAYPGPDRDGLPAERLKCALVEARMLLGVVERDQVAEDHVAVFHRPLGEAEKAELFAAAVADPTTDLYYPYAQLGDRVRETEEGGWEVTDESARELDHAEEVLRDHVPDRLAELGFRGGVAYDAACSTGAFLQAVGRRFPGTRTIGQDLSPAMVARARTRLDEAHCGDGIRPAIPEASADLVVCRHLNAFVVGTGQAHDLLAAAASRCREGGLVVLLGHTPVLVSSQWCEMSGLTPLQRSGATPSGHALFQCYVLRKG

Source

organism	Nocardia uniformis subsp. tsuyamanensis
ncbi_taxonomy_id	96045
host_organism	Escherichia coli

Entity 2 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	443

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6. Citations (1)

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length_a	46.710 Å
length_b	91.874 Å
length_c	130.790 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	orthorhombic

resolution	1.750 Å
resolution_low	45.940 Å
r_factor	0.1781
r_work	0.1765
r_free	0.2224

fit	/app/data/saxs_computation/up/9upq/9upq.fit
pddf	/app/data/pr_computation/up/9upq/9upq.pr.out
profile	/app/data/saxs_computation/up/9upq/9upq.dat

Structure of 3-amino-3-carboxyltransferase

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