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9urk

Crystal structure of Imine Reductase Mutant(AHtanRedAm) from Actinoalloteichus hymeniacidonis in complex with NADPH

Method: X-RAY DIFFRACTION D_max: 96.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9urk
deposition_date	2025-04-30
last_revision	2026-05-06
title	Crystal structure of Imine Reductase Mutant(AHtanRedAm) from Actinoalloteichus hymeniacidonis in complex with NADPH
keywords	Reductive amination, OXIDOREDUCTASE; OXIDOREDUCTASE
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	28.89 Å
rg_electron	28.16 Å
i0	65624700.00
molecular_weight	61816.0 kDa
excluded_volume	76484 Å³
envelope_volume	92878 Å³
shell_volume	29243 Å³
envelope_diameter	99.9 Å
shell_rg	33.81 Å
envelope_rg	28.33 Å
shape_rg	28.19 Å
total_rg	28.56 Å
total_atoms	4347
n_residues	579
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	96.0 Å
rg_real	29.09 Å
rg_real_error	0.70 Å
i0_real	6.5620e+07
i0_real_error	9.8490e+05
rg_reciprocal	29.00 Å
i0_reciprocal	65620000.0000
total_estimate	0.8398
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	26.2 Å
skewness	0.554
kurtosis	-0.221
angular_range	— – 0.2750 Å⁻¹
current_alpha	0.0000
highest_alpha	20920000.0000
n_real_points	56
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.797; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.822; Smooth: 0.700

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Beta-hydroxyacid dehydrogenase, 3-hydroxyisobutyrate dehydrogenase
formula_weight	35130.4 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4424

MGSSHHHHHHSSGLVPRGSHMPESTTPSTATPVTIIGLGAMGTALANAFLDAGHSTTVWNRTAARATALAARGAHHAETVTEAIAASPLVIACVLDYDAFHETLAPATDALAGRALVNLTTGTPKQARETASWAADHRIDYLDGGIMAIPPGIATPDSFILYSGPLGTFEAHRSTLEVLGAANHVGTDHGLASLHDLALLTGMYGMIAGILQAFALIDSEGIPAGDLAPMLTNLLTGAAHSVAHYAQQIDTGDYETGVVFNLAHQSTGFANLVQAGEDQGVDVGLLRPLFELMRHQVAAGYGNGDVASVIELIRREERRQPAKSPGADKITRARRP

Source

organism	Actinoalloteichus hymeniacidonis
ncbi_taxonomy_id	340345
host_organism	Escherichia coli

Entity 2 non-polymer

description	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
formula_weight	743.4 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	nat
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	77

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6. Citations (1)

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length_a	109.615 Å
length_b	68.047 Å
length_c	95.161 Å
angle_alpha	90.00 °
angle_beta	96.75 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 1 2 1
int_tables_number	5
crystal_system	monoclinic

resolution	2.200 Å
resolution_low	32.020 Å
r_factor	0.2007
r_work	0.1989
r_free	0.2346

fit	/app/data/saxs_computation/ur/9urk/9urk.fit
pddf	/app/data/pr_computation/ur/9urk/9urk.pr.out
profile	/app/data/saxs_computation/ur/9urk/9urk.dat

Crystal structure of Imine Reductase Mutant(AHtanRedAm) from Actinoalloteichus hymeniacidonis in complex with NADPH

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