A7 minibinder in complex with Abp2D

entry_id	9q1h
deposition_date	2025-08-13
last_revision	2025-09-17
title	A7 minibinder in complex with Abp2D
keywords	Inhibitor, Complex, de novo protein, adhesin, PROTEIN BINDING; PROTEIN BINDING
method	X-RAY DIFFRACTION

rg_guinier	20.44 Å
rg_electron	19.60 Å
i0	10513600.00
molecular_weight	24704.0 kDa
excluded_volume	31164 ų
envelope_volume	35484 ų
shell_volume	16125 ų
envelope_diameter	71.4 Å
shell_rg	25.05 Å
envelope_rg	20.02 Å
shape_rg	19.57 Å
total_rg	20.55 Å
total_atoms	3472
n_residues	229
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	71.0 Å
rg_real	20.55 Å
rg_real_error	0.73 Å
i0_real	1.0510e+07
i0_real_error	1.6440e+05
rg_reciprocal	20.53 Å
i0_reciprocal	10510000.0000
total_estimate	0.6136
solution_quality	REASONABLE a REASONABLE solution
n_peaks	3
r_peak_primary	20.3 Å
skewness	0.511
kurtosis	-0.180
angular_range	— – 0.3900 Å−1
current_alpha	0.0000
highest_alpha	3171000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.713; Stabil: 0.998; Sysdev: 0.319; Positv: 1.000; Valcen: 0.882; Smooth: 0.000

Unit Cell

length_a	25.806 Å
length_b	52.464 Å
length_c	152.121 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

Symmetry

space_group	P 21 21 21
int_tables_number	19
crystal_system	orthorhombic

Refinement

resolution	1.350 Å
resolution_low	49.600 Å
r_factor	—
r_work	0.1648
r_free	0.1971

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/q1/9q1h/pr_distribution.json
• pr_output /app/data/pr_computation/q1/9q1h/9q1h.pr.out
• pr_plot /app/data/visualization/pr_computation/q1/9q1h/9q1h_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/q1/9q1h/9q1h.dat
• saxs_fit /app/data/saxs_computation/q1/9q1h/9q1h.fit
• saxs_log /app/data/saxs_computation/q1/9q1h/9q1h.log
• saxs_plot /app/data/visualization/saxs_computation/q1/9q1h/9q1h_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/q1/9q1h/9q1h.fit
pddf	/app/data/pr_computation/q1/9q1h/9q1h.pr.out
profile	/app/data/saxs_computation/q1/9q1h/9q1h.dat