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9psw

Q108K:K40L:T51V:T53S:R58W:Y19W:L117E mutant of hCRBPII bound to fluorophore TD-1V-2

Method: X-RAY DIFFRACTION D_max: 49.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9psw
deposition_date	2025-07-27
last_revision	2025-10-01
title	Q108K:K40L:T51V:T53S:R58W:Y19W:L117E mutant of hCRBPII bound to fluorophore TD-1V-2
keywords	human cellular retinol binding protein II, hCRBPII, fluorescent protein, engineered protein, RETINOL BINDING PROTEIN; RETINOL BINDING PROTEIN
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	15.21 Å
rg_electron	14.05 Å
i0	8843990.00
molecular_weight	14798.0 kDa
excluded_volume	14387 Å³
envelope_volume	21799 Å³
shell_volume	13025 Å³
envelope_diameter	46.5 Å
shell_rg	20.04 Å
envelope_rg	14.30 Å
shape_rg	13.98 Å
total_rg	15.05 Å
total_atoms	1135
n_residues	133
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	49.5 Å
rg_real	15.09 Å
rg_real_error	0.33 Å
i0_real	8.8440e+06
i0_real_error	9.6280e+04
rg_reciprocal	15.10 Å
i0_reciprocal	8844000.0000
total_estimate	0.8020
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	19.4 Å
skewness	0.113
kurtosis	-0.429
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	1685000.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.812; Stabil: 0.996; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Retinol-binding protein 2
formula_weight	15634.5 kDa
mutation	Q108K:K40L:T51V:T53S:R58W:Y19W:L117E
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1232

TRDQNGTWEMESNENFEGWMKALDIDFATRKIAVRLTQTLVIDQDGDNFKVKSTSTFWNYDVDFTVGVEFDEYTKSLDNRHVKALVTWEGDVLVCVQKGEKENRGWKKWIEGDKLYEELTCGDQVCRQVFKKK

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	(2E)-3-{5-[4-(azetidin-1-yl)phenyl]thiophen-2-yl}but-2-enal
formula_weight	283.4 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	ACETATE ION
formula_weight	59.0 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	93

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6. Citations (1)

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length_a	29.409 Å
length_b	66.646 Å
length_c	64.152 Å
angle_alpha	90.00 °
angle_beta	90.81 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	monoclinic

resolution	1.610 Å
resolution_low	33.320 Å
r_factor	0.1729
r_work	0.1700
r_free	0.1981

fit	/app/data/saxs_computation/ps/9psw/9psw.fit
pddf	/app/data/pr_computation/ps/9psw/9psw.pr.out
profile	/app/data/saxs_computation/ps/9psw/9psw.dat

Q108K:K40L:T51V:T53S:R58W:Y19W:L117E mutant of hCRBPII bound to fluorophore TD-1V-2

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