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9rzr

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

Method: X-RAY DIFFRACTION D_max: 57.6 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9rzr
deposition_date	2025-07-16
title	Hen Egg-White Lysozyme (HEWL) complexed with a Lindqvist-type hexavanadate (V6-Hex) 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	15.92 Å
rg_electron	14.96 Å
i0	11256200.00
molecular_weight	15783.0 kDa
excluded_volume	14570 Å³
envelope_volume	22229 Å³
shell_volume	12831 Å³
envelope_diameter	58.9 Å
shell_rg	20.55 Å
envelope_rg	15.37 Å
shape_rg	14.85 Å
total_rg	15.83 Å
total_atoms	1142
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	57.6 Å
rg_real	15.86 Å
rg_real_error	0.33 Å
i0_real	1.1260e+07
i0_real_error	1.2650e+05
rg_reciprocal	15.87 Å
i0_reciprocal	11260000.0000
total_estimate	0.6222
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	20.4 Å
skewness	0.237
kurtosis	-0.282
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	1053000.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.680; Stabil: 1.000; Sysdev: 0.368; Positv: 1.000; Valcen: 0.940; Smooth: 0.000

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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	1315

KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL

Source

organism	Gallus gallus
common_name	chicken
ncbi_taxonomy_id	9031
host_organism	Gallus gallus

Entity 2 non-polymer

description	Hexavanadate (V6-Hex) polyoxometalate
formula_weight	1080.2 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	MALONATE ION
formula_weight	102.0 kDa
src_method	syn
entity_count	3

Entity 4 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	3

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	141

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6. Citations (1)

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length_a	76.583 Å
length_b	76.583 Å
length_c	38.785 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	1.270 Å
resolution_low	38.290 Å
r_factor	0.1407
r_work	0.1396
r_free	0.1633

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