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12ak

Q108K:K40L:T51V:T53S:R58W:Y19W:L117E mutant of hCRBPII bound to fluorophore TD-1V-6

Method: X-RAY DIFFRACTION D_max: 47.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	12ak
deposition_date	2026-03-23
last_revision	2026-04-01
title	Q108K:K40L:T51V:T53S:R58W:Y19W:L117E mutant of hCRBPII bound to fluorophore TD-1V-6
keywords	;human cellular retinol binding protein II, hCRBPII, fluorescent protein, engineered protein, RETINOL BINDING PROTEIN, CYTOSOLIC PROTEIN ;; CYTOSOLIC 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	15.16 Å
rg_electron	14.04 Å
i0	9138170.00
molecular_weight	14962.0 kDa
excluded_volume	14459 Å³
envelope_volume	22028 Å³
shell_volume	13135 Å³
envelope_diameter	46.5 Å
shell_rg	20.10 Å
envelope_rg	14.29 Å
shape_rg	14.03 Å
total_rg	14.94 Å
total_atoms	1130
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	47.0 Å
rg_real	15.04 Å
rg_real_error	0.25 Å
i0_real	9.1380e+06
i0_real_error	1.0540e+05
rg_reciprocal	15.05 Å
i0_reciprocal	9138000.0000
total_estimate	0.8926
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	45.8 Å
skewness	0.122
kurtosis	-0.426
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	1863000.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.891; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.946

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Retinol-binding protein 2
formula_weight	15634.5 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1234

TRDQNGTWEMESNENFEGWMKALDIDFATRKIAVRLTQTLVIDQDGDNFKVKSTSTFWNYDVDFTVGVEFDEYTKSLDNRHVKALVTWEGDVLVCVQKGEKENRGWKKWIEGDKLYEELTCGDQVCRQVFKKK

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	(2Z)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}-4,4,4-trifluorobut-2-enal
formula_weight	325.3 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 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	3

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	100

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6. Citations (1)

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length_a	29.353 Å
length_b	67.102 Å
length_c	64.025 Å
angle_alpha	90.00 °
angle_beta	90.37 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	monoclinic

resolution	1.370 Å
resolution_low	29.720 Å
r_factor	0.1800
r_work	0.1782
r_free	0.2000

fit	/app/data/saxs_computation/2a/12ak/12ak.fit
pddf	/app/data/pr_computation/2a/12ak/12ak.pr.out
profile	/app/data/saxs_computation/2a/12ak/12ak.dat