Crystal structure of the periplasmic domain of CadF from Campylobacter jejuni in complex with a peptidoglycan peptide

entry_id	9v99
deposition_date	2025-05-30
last_revision	2026-05-06
title	Crystal structure of the periplasmic domain of CadF from Campylobacter jejuni in complex with a peptidoglycan peptide
keywords	CadF, Campylobacter jejuni, peptidoglycan, PEPTIDE BINDING PROTEIN; PEPTIDE BINDING PROTEIN
method	X-RAY DIFFRACTION

rg_guinier	20.20 Å
rg_electron	19.33 Å
i0	13332700.00
molecular_weight	25850.0 kDa
excluded_volume	31705 ų
envelope_volume	38016 ų
shell_volume	16829 ų
envelope_diameter	61.7 Å
shell_rg	24.72 Å
envelope_rg	19.13 Å
shape_rg	19.31 Å
total_rg	20.11 Å
total_atoms	1824
n_residues	228
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	64.2 Å
rg_real	20.12 Å
rg_real_error	0.43 Å
i0_real	1.3330e+07
i0_real_error	1.8390e+05
rg_reciprocal	20.14 Å
i0_reciprocal	13330000.0000
total_estimate	0.9083
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	27.5 Å
skewness	0.115
kurtosis	-0.670
angular_range	— – 0.3950 Å−1
current_alpha	0.0000
highest_alpha	2792000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.939; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.994

Unit Cell

length_a	43.855 Å
length_b	49.226 Å
length_c	55.981 Å
angle_alpha	90.00 °
angle_beta	112.06 °
angle_gamma	90.00 °
z_pdb	4

Symmetry

space_group	P 1 21 1
int_tables_number	4
crystal_system	monoclinic

Refinement

resolution	1.800 Å
resolution_low	27.390 Å
r_factor	0.2082
r_work	0.2066
r_free	0.2366

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/v9/9v99/pr_distribution.json
• pr_output /app/data/pr_computation/v9/9v99/9v99.pr.out
• pr_plot /app/data/visualization/pr_computation/v9/9v99/9v99_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/v9/9v99/9v99.dat
• saxs_fit /app/data/saxs_computation/v9/9v99/9v99.fit
• saxs_log /app/data/saxs_computation/v9/9v99/9v99.log
• saxs_plot /app/data/visualization/saxs_computation/v9/9v99/9v99_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/v9/9v99/9v99.fit
pddf	/app/data/pr_computation/v9/9v99/9v99.pr.out
profile	/app/data/saxs_computation/v9/9v99/9v99.dat