Structure of FabS1CE2_P2a in complex with the N-terminal domain of PD-L1

entry_id	13fl
deposition_date	2026-05-04
last_revision	2026-06-03
title	Structure of FabS1CE2_P2a in complex with the N-terminal domain of PD-L1
keywords	high-affinity binding, immune suppression, tumour growth suppressor, cell signalling, PD-L1, IMMUNE SYSTEM; IMMUNE SYSTEM
method	X-RAY DIFFRACTION

rg_guinier	29.74 Å
rg_electron	29.50 Å
i0	57741500.00
molecular_weight	59706.0 kDa
excluded_volume	74645 ų
envelope_volume	95478 ų
shell_volume	28798 ų
envelope_diameter	104.4 Å
shell_rg	34.63 Å
envelope_rg	29.43 Å
shape_rg	29.48 Å
total_rg	30.06 Å
total_atoms	4203
n_residues	545
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	102.0 Å
rg_real	29.97 Å
rg_real_error	1.12 Å
i0_real	5.7740e+07
i0_real_error	9.6390e+05
rg_reciprocal	29.87 Å
i0_reciprocal	57740000.0000
total_estimate	0.8511
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	30.8 Å
skewness	0.541
kurtosis	-0.229
angular_range	— – 0.2650 Å−1
current_alpha	0.0000
highest_alpha	10340000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.783; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.828; Smooth: 0.889

Unit Cell

length_a	66.358 Å
length_b	239.679 Å
length_c	104.282 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

Symmetry

space_group	C 2 2 21
int_tables_number	20
crystal_system	orthorhombic

Refinement

resolution	2.220 Å
resolution_low	40.410 Å
r_factor	0.2007
r_work	0.1987
r_free	0.2386

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/3f/13fl/pr_distribution.json
• pr_output /app/data/pr_computation/3f/13fl/13fl.pr.out
• pr_plot /app/data/visualization/pr_computation/3f/13fl/13fl_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/3f/13fl/13fl.dat
• saxs_fit /app/data/saxs_computation/3f/13fl/13fl.fit
• saxs_log /app/data/saxs_computation/3f/13fl/13fl.log
• saxs_plot /app/data/visualization/saxs_computation/3f/13fl/13fl_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/3f/13fl/13fl.fit
pddf	/app/data/pr_computation/3f/13fl/13fl.pr.out
profile	/app/data/saxs_computation/3f/13fl/13fl.dat