;Crystal Structure of an exported phospholipid binding protein from Bordetella pertussis in complex with Di-palmitoyl-3-sn-phosphatidylethanolamine (DPPE), P43 form 2 ;

entry_id	11if
deposition_date	2026-02-25
last_revision	2026-03-11
title	;Crystal Structure of an exported phospholipid binding protein from Bordetella pertussis in complex with Di-palmitoyl-3-sn-phosphatidylethanolamine (DPPE), P43 form 2 ;
keywords	;SSGCID, STRUCTURAL GENOMICS, SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE, transport protein, phospholipid binding, Bordetella pertussis ;; TRANSPORT PROTEIN
method	X-RAY DIFFRACTION

rg_guinier	18.17 Å
rg_electron	16.56 Å
i0	7602230.00
molecular_weight	20505.0 kDa
excluded_volume	25803 ų
envelope_volume	29520 ų
shell_volume	15234 ų
envelope_diameter	53.1 Å
shell_rg	22.27 Å
envelope_rg	16.75 Å
shape_rg	16.55 Å
total_rg	17.53 Å
total_atoms	1445
n_residues	179
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	54.5 Å
rg_real	18.05 Å
rg_real_error	0.23 Å
i0_real	7.6020e+06
i0_real_error	8.7660e+04
rg_reciprocal	18.06 Å
i0_reciprocal	7602000.0000
total_estimate	0.9127
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	23.6 Å
skewness	0.084
kurtosis	-0.534
angular_range	— – 0.4400 Å−1
current_alpha	0.0000
highest_alpha	883400.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.963; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.981

Unit Cell

length_a	51.144 Å
length_b	51.144 Å
length_c	71.918 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

Symmetry

space_group	P 43
int_tables_number	78
crystal_system	—

Refinement

resolution	1.510 Å
resolution_low	41.680 Å
r_factor	0.1812
r_work	0.1798
r_free	0.2097

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/1i/11if/pr_distribution.json
• pr_output /app/data/pr_computation/1i/11if/11if.pr.out
• pr_plot /app/data/visualization/pr_computation/1i/11if/11if_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/1i/11if/11if.dat
• saxs_fit /app/data/saxs_computation/1i/11if/11if.fit
• saxs_log /app/data/saxs_computation/1i/11if/11if.log
• saxs_plot /app/data/visualization/saxs_computation/1i/11if/11if_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/1i/11if/11if.fit
pddf	/app/data/pr_computation/1i/11if/11if.pr.out
profile	/app/data/saxs_computation/1i/11if/11if.dat