← Back to search

9r76

Imine Reductase IR91 from Kribbella flavida with NADP+

Method: X-RAY DIFFRACTION D_max: 91.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9r76
deposition_date	2025-05-14
last_revision	2025-11-05
title	Imine Reductase IR91 from Kribbella flavida with NADP+
keywords	Amine, Imine, NADPH, Imine Reductase, OXIDOREDUCTASE; OXIDOREDUCTASE
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	27.24 Å
rg_electron	26.77 Å
i0	65025400.00
molecular_weight	60985.0 kDa
excluded_volume	75308 Å³
envelope_volume	86524 Å³
shell_volume	28385 Å³
envelope_diameter	95.3 Å
shell_rg	33.04 Å
envelope_rg	26.95 Å
shape_rg	26.82 Å
total_rg	27.20 Å
total_atoms	4264
n_residues	574
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

▼

3. P(r) Analysis (GNOM)

dmax	91.3 Å
rg_real	27.45 Å
rg_real_error	0.70 Å
i0_real	6.5030e+07
i0_real_error	9.6240e+05
rg_reciprocal	27.39 Å
i0_reciprocal	65020000.0000
total_estimate	0.8473
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.8 Å
skewness	0.560
kurtosis	-0.184
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	22190000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.768; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.926; Smooth: 0.780

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

Entity 1 polymer

description	6-phosphogluconate dehydrogenase NAD-binding protein
formula_weight	30880.9 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4635

MPPTDRTPVTLIGLGPMGQAMTRALLAAGHPVTVWNRTPARAAGVVADGAVLAASPVEAVEAGDLVILSLTDYQAMYDVLEPATGSLAGRTVVNLSSDTPDRTRAAADWATEHGATFLTGGVMIPAPMVGTEEAYVYYSGPAEVFEKHRTTLTVIGAPRYLGEDTGLAQLMYQAQLDVFLTTLSSLMHATALLGTAGVSAAESMPELIGMLRTVPAMLEAGGENPGADIDADKHPGDLSTITMMGATADHIVGASETAGIDLALPRAVQAHYRRAIENGHGGDNWTRIIDGIRSPR

Source

organism	Kribbella flavida
ncbi_taxonomy_id	182640
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	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	5

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	357

▶

6. Citations (1)

▶

length_a	52.020 Å
length_b	109.430 Å
length_c	53.720 Å
angle_alpha	90.00 °
angle_beta	93.94 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.490 Å
resolution_low	54.720 Å
r_factor	0.2329
r_work	0.2319
r_free	0.2526

fit	/app/data/saxs_computation/r7/9r76/9r76.fit
pddf	/app/data/pr_computation/r7/9r76/9r76.pr.out
profile	/app/data/saxs_computation/r7/9r76/9r76.dat

Imine Reductase IR91 from Kribbella flavida with NADP+

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