Crystal structure of Borrelia burgdorferi BB0238-BB0323 complex

entry_id	9q9v
deposition_date	2025-02-26
last_revision	2026-02-04
title	Crystal structure of Borrelia burgdorferi BB0238-BB0323 complex
keywords	protein complex, Lyme disease, borreliosis., STRUCTURAL PROTEIN; STRUCTURAL PROTEIN
method	X-RAY DIFFRACTION

rg_guinier	24.01 Å
rg_electron	23.85 Å
i0	17343600.00
molecular_weight	31479.0 kDa
excluded_volume	39322 ų
envelope_volume	47711 ų
shell_volume	18842 ų
envelope_diameter	99.0 Å
shell_rg	27.64 Å
envelope_rg	24.56 Å
shape_rg	23.76 Å
total_rg	24.59 Å
total_atoms	2223
n_residues	274
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	91.8 Å
rg_real	24.35 Å
rg_real_error	0.97 Å
i0_real	1.7340e+07
i0_real_error	2.6930e+05
rg_reciprocal	24.27 Å
i0_reciprocal	17340000.0000
total_estimate	0.7599
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.4 Å
skewness	0.695
kurtosis	0.165
angular_range	— – 0.3300 Å−1
current_alpha	0.0000
highest_alpha	2314000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.502; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.455; Smooth: 0.914

Unit Cell

length_a	130.760 Å
length_b	130.760 Å
length_c	38.943 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

Symmetry

space_group	P 65
int_tables_number	170
crystal_system	—

Refinement

resolution	3.600 Å
resolution_low	37.780 Å
r_factor	0.2057
r_work	0.1992
r_free	0.3351

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/q9/9q9v/pr_distribution.json
• pr_output /app/data/pr_computation/q9/9q9v/9q9v.pr.out
• pr_plot /app/data/visualization/pr_computation/q9/9q9v/9q9v_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/q9/9q9v/9q9v.dat
• saxs_fit /app/data/saxs_computation/q9/9q9v/9q9v.fit
• saxs_log /app/data/saxs_computation/q9/9q9v/9q9v.log
• saxs_plot /app/data/visualization/saxs_computation/q9/9q9v/9q9v_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/q9/9q9v/9q9v.fit
pddf	/app/data/pr_computation/q9/9q9v/9q9v.pr.out
profile	/app/data/saxs_computation/q9/9q9v/9q9v.dat