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9rzs

Hen Egg-White Lysozyme (HEWL) complexed with a Lindqvist-type hexavanadate (V6-N3) polyoxometalate

Method: X-RAY DIFFRACTION D_max: 59.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9rzs
deposition_date	2025-07-16
title	Hen Egg-White Lysozyme (HEWL) complexed with a Lindqvist-type hexavanadate (V6-N3) polyoxometalate
keywords	Complex, Polyoxometalate, Protein binding, HYDROLASE; HYDROLASE
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	15.86 Å
rg_electron	14.73 Å
i0	9551150.00
molecular_weight	14397.0 kDa
excluded_volume	13308 Å³
envelope_volume	20448 Å³
shell_volume	12268 Å³
envelope_diameter	57.1 Å
shell_rg	20.01 Å
envelope_rg	14.96 Å
shape_rg	14.47 Å
total_rg	15.79 Å
total_atoms	1053
n_residues	129
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	59.2 Å
rg_real	15.87 Å
rg_real_error	0.51 Å
i0_real	9.5510e+06
i0_real_error	1.2290e+05
rg_reciprocal	15.87 Å
i0_reciprocal	9551000.0000
total_estimate	0.8115
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	19.5 Å
skewness	0.444
kurtosis	0.076
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	1098000.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.565; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.859; Smooth: 0.994

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Lysozyme C
formula_weight	14331.2 kDa
ec_number	3.2.1.17
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1139

KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL

Source

organism	Gallus gallus
common_name	chicken
ncbi_taxonomy_id	9031
host_organism	Gallus gallus

Entity 2 non-polymer

description	Hexavanadate (V6-N3) polyoxometalate
formula_weight	918.0 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	3

Entity 4 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	74

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6. Citations (1)

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length_a	76.049 Å
length_b	76.049 Å
length_c	37.049 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 43 21 2
int_tables_number	96
crystal_system	tetragonal

resolution	1.680 Å
resolution_low	38.020 Å
r_factor	0.1931
r_work	0.1913
r_free	0.2286

fit	/app/data/saxs_computation/rz/9rzs/9rzs.fit
pddf	/app/data/pr_computation/rz/9rzs/9rzs.pr.out
profile	/app/data/saxs_computation/rz/9rzs/9rzs.dat