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9rko

Langerin in complex with Thiazolopyrimidine

Method: X-RAY DIFFRACTION D_max: 66.8 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9rko
deposition_date	2025-06-13
last_revision	2026-02-25
title	Langerin in complex with Thiazolopyrimidine
keywords	Langerin, Thiazolopyrimidine, inhibitor, SUGAR BINDING PROTEIN; SUGAR 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	21.21 Å
rg_electron	20.51 Å
i0	18998100.00
molecular_weight	32668.0 kDa
excluded_volume	40548 Å³
envelope_volume	47742 Å³
shell_volume	19813 Å³
envelope_diameter	66.1 Å
shell_rg	26.44 Å
envelope_rg	20.68 Å
shape_rg	20.66 Å
total_rg	20.85 Å
total_atoms	4451
n_residues	279
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	66.8 Å
rg_real	21.16 Å
rg_real_error	0.36 Å
i0_real	1.9000e+07
i0_real_error	2.3310e+05
rg_reciprocal	21.17 Å
i0_reciprocal	19000000.0000
total_estimate	0.9062
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	22.6 Å
skewness	0.244
kurtosis	-0.532
angular_range	— – 0.3750 Å⁻¹
current_alpha	0.0000
highest_alpha	5070000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.935; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.974

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	C-type lectin domain family 4 member K
formula_weight	16744.6 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4757

SHMQSDILEMVARGWKYFSGNFYYFSRTPKTWYSAEQFCISRKAHLTSVSSESEQKFLYKAADGIPHWIGLTKAGSEGDWYWVDQTSFNKEQSRRFWIPGEPNNAGNNEHCANIRVSALKSWNDGPCDNTFLFICKRPYVQTTE

Source

organism	Mus musculus
common_name	house mouse
ncbi_taxonomy_id	10090
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	2,3-dimethyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
formula_weight	224.2 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	224

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6. Citations (2)

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length_a	35.172 Å
length_b	81.751 Å
length_c	52.195 Å
angle_alpha	90.00 °
angle_beta	104.70 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	monoclinic

resolution	1.890 Å
resolution_low	50.490 Å
r_factor	0.1815
r_work	0.1799
r_free	0.2109

fit	/app/data/saxs_computation/rk/9rko/9rko.fit
pddf	/app/data/pr_computation/rk/9rko/9rko.pr.out
profile	/app/data/saxs_computation/rk/9rko/9rko.dat

Langerin in complex with Thiazolopyrimidine

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