Designed pentameric proton channel LLQL I13S

entry_id	12ki
deposition_date	2026-04-09
last_revision	2026-05-06
title	Designed pentameric proton channel LLQL I13S
keywords	proton channel, helical bundle, membrane protein, designed protein; MEMBRANE PROTEIN
method	X-RAY DIFFRACTION

rg_guinier	21.08 Å
rg_electron	19.99 Å
i0	9230670.00
molecular_weight	30478.0 kDa
excluded_volume	41685 ų
envelope_volume	47270 ų
shell_volume	19851 ų
envelope_diameter	68.7 Å
shell_rg	26.08 Å
envelope_rg	20.15 Å
shape_rg	20.01 Å
total_rg	21.07 Å
total_atoms	2164
n_residues	257
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	68.5 Å
rg_real	21.02 Å
rg_real_error	0.47 Å
i0_real	9.2310e+06
i0_real_error	1.3460e+05
rg_reciprocal	21.03 Å
i0_reciprocal	9231000.0000
total_estimate	0.7002
solution_quality	REASONABLE a REASONABLE solution
n_peaks	3
r_peak_primary	19.1 Å
skewness	0.191
kurtosis	-0.523
angular_range	— – 0.3750 Å−1
current_alpha	0.0000
highest_alpha	4760000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.816; Stabil: 0.999; Sysdev: 0.225; Positv: 1.000; Valcen: 0.985; Smooth: 0.994

Unit Cell

length_a	41.181 Å
length_b	85.409 Å
length_c	87.192 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	40

Symmetry

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

Refinement

resolution	2.800 Å
resolution_low	61.014 Å
r_factor	—
r_work	0.2424
r_free	0.2783

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/2k/12ki/pr_distribution.json
• pr_output /app/data/pr_computation/2k/12ki/12ki.pr.out
• pr_plot /app/data/visualization/pr_computation/2k/12ki/12ki_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/2k/12ki/12ki.dat
• saxs_fit /app/data/saxs_computation/2k/12ki/12ki.fit
• saxs_log /app/data/saxs_computation/2k/12ki/12ki.log
• saxs_plot /app/data/visualization/saxs_computation/2k/12ki/12ki_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/2k/12ki/12ki.fit
pddf	/app/data/pr_computation/2k/12ki/12ki.pr.out
profile	/app/data/saxs_computation/2k/12ki/12ki.dat