Crystal structure of Borrelia burgdorferi BB0238-BB0323 complex (BB0238 residues 118-256; BB0323 residues 26-210)

entry_id	9qaa
deposition_date	2025-02-27
last_revision	2026-02-04
title	Crystal structure of Borrelia burgdorferi BB0238-BB0323 complex (BB0238 residues 118-256; BB0323 residues 26-210)
keywords	protein complex, Lyme disease, borreliosis., STRUCTURAL PROTEIN; STRUCTURAL PROTEIN
method	X-RAY DIFFRACTION

rg_guinier	24.72 Å
rg_electron	24.84 Å
i0	18465400.00
molecular_weight	32747.0 kDa
excluded_volume	41011 ų
envelope_volume	50221 ų
shell_volume	19329 ų
envelope_diameter	103.5 Å
shell_rg	28.09 Å
envelope_rg	25.48 Å
shape_rg	24.76 Å
total_rg	25.50 Å
total_atoms	2313
n_residues	284
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	98.0 Å
rg_real	25.11 Å
rg_real_error	1.28 Å
i0_real	1.8470e+07
i0_real_error	3.0480e+05
rg_reciprocal	25.02 Å
i0_reciprocal	18460000.0000
total_estimate	0.5757
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	24.9 Å
skewness	0.705
kurtosis	0.193
angular_range	— – 0.3200 Å−1
current_alpha	0.0000
highest_alpha	2400000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.422; Stabil: 1.000; Sysdev: 0.338; Positv: 1.000; Valcen: 0.261; Smooth: 0.939

Unit Cell

length_a	129.746 Å
length_b	129.746 Å
length_c	41.240 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	3.500 Å
resolution_low	64.960 Å
r_factor	0.2369
r_work	0.2335
r_free	0.2979

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/qa/9qaa/pr_distribution.json
• pr_output /app/data/pr_computation/qa/9qaa/9qaa.pr.out
• pr_plot /app/data/visualization/pr_computation/qa/9qaa/9qaa_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/qa/9qaa/9qaa.dat
• saxs_fit /app/data/saxs_computation/qa/9qaa/9qaa.fit
• saxs_log /app/data/saxs_computation/qa/9qaa/9qaa.log
• saxs_plot /app/data/visualization/saxs_computation/qa/9qaa/9qaa_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/qa/9qaa/9qaa.fit
pddf	/app/data/pr_computation/qa/9qaa/9qaa.pr.out
profile	/app/data/saxs_computation/qa/9qaa/9qaa.dat