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9pt1

Q108K:K40L:T51V:T53S:R58W:Y19W:L117E mutant of hCRBPII bound to fluorophore TD-1V-10

Method: X-RAY DIFFRACTION D_max: 47.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9pt1
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-10
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	15.20 Å
rg_electron	14.04 Å
i0	8855710.00
molecular_weight	14836.0 kDa
excluded_volume	14422 Å³
envelope_volume	21858 Å³
shell_volume	13049 Å³
envelope_diameter	46.6 Å
shell_rg	20.06 Å
envelope_rg	14.31 Å
shape_rg	13.96 Å
total_rg	15.05 Å
total_atoms	1138
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	47.5 Å
rg_real	15.08 Å
rg_real_error	0.29 Å
i0_real	8.8560e+06
i0_real_error	9.8490e+04
rg_reciprocal	15.09 Å
i0_reciprocal	8856000.0000
total_estimate	0.8940
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	19.8 Å
skewness	0.114
kurtosis	-0.427
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	1611000.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.883; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.981

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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	1195

TRDQNGTWEMESNENFEGWMKALDIDFATRKIAVRLTQTLVIDQDGDNFKVKSTSTFWNYDVDFTVGVEFDEYTKSLDNRHVKALVTWEGDVLVCVQKGEKENRGWKKWIEGDKLYEELTCGDQVCRQVFKKK

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	(2E)-3-{4-[5-(dimethylamino)thiophen-2-yl]phenyl}but-2-enal
formula_weight	271.4 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	52

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6. Citations (1)

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length_a	29.396 Å
length_b	66.751 Å
length_c	64.067 Å
angle_alpha	90.00 °
angle_beta	90.40 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	monoclinic

resolution	1.480 Å
resolution_low	33.380 Å
r_factor	—
r_work	0.1752
r_free	0.1947

fit	/app/data/saxs_computation/pt/9pt1/9pt1.fit
pddf	/app/data/pr_computation/pt/9pt1/9pt1.pr.out
profile	/app/data/saxs_computation/pt/9pt1/9pt1.dat

Q108K:K40L:T51V:T53S:R58W:Y19W:L117E mutant of hCRBPII bound to fluorophore TD-1V-10

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