Crystal structure of Isoform Chitin Binding Protein from Iberis umbellata L.

entry_id	9v6z
deposition_date	2025-05-27
title	Crystal structure of Isoform Chitin Binding Protein from Iberis umbellata L.
keywords	Isoform, Chitin Binding Protein, Iberis, Candytuft, PLANT PROTEIN; PLANT PROTEIN
method	X-RAY DIFFRACTION

rg_guinier	15.00 Å
rg_electron	14.18 Å
i0	3547970.00
molecular_weight	12242.0 kDa
excluded_volume	14862 ų
envelope_volume	17318 ų
shell_volume	10923 ų
envelope_diameter	57.8 Å
shell_rg	19.45 Å
envelope_rg	14.99 Å
shape_rg	14.20 Å
total_rg	15.18 Å
total_atoms	845
n_residues	109
n_harmonics	20
q_range	— – 0.5000 Å−1
n_points	101
shell_type	directional
solvent_density	0.3340 e/ų
contrast_shell	0.0300 e/ų
crysol_version	4.1.3

dmax	55.8 Å
rg_real	15.02 Å
rg_real_error	0.46 Å
i0_real	3.5480e+06
i0_real_error	4.5610e+04
rg_reciprocal	15.02 Å
i0_reciprocal	3548000.0000
total_estimate	0.7362
solution_quality	REASONABLE a REASONABLE solution
n_peaks	3
r_peak_primary	18.4 Å
skewness	0.463
kurtosis	0.176
angular_range	— – 0.5000 Å−1
current_alpha	0.0000
highest_alpha	602200.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.569; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.861; Smooth: 0.000

Unit Cell

length_a	45.179 Å
length_b	73.121 Å
length_c	31.296 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

Symmetry

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

Refinement

resolution	1.440 Å
resolution_low	28.420 Å
r_factor	0.1910
r_work	0.1897
r_free	0.2188

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/v6/9v6z/pr_distribution.json
• pr_output /app/data/pr_computation/v6/9v6z/9v6z.pr.out
• pr_plot /app/data/visualization/pr_computation/v6/9v6z/9v6z_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/v6/9v6z/9v6z.dat
• saxs_fit /app/data/saxs_computation/v6/9v6z/9v6z.fit
• saxs_log /app/data/saxs_computation/v6/9v6z/9v6z.log
• saxs_plot /app/data/visualization/saxs_computation/v6/9v6z/9v6z_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/v6/9v6z/9v6z.fit
pddf	/app/data/pr_computation/v6/9v6z/9v6z.pr.out
profile	/app/data/saxs_computation/v6/9v6z/9v6z.dat