Crystal structure of Fab 7118 in complex with major repeat region (NANP6) from circumsporozoite protein

entry_id	9zmc
deposition_date	2025-12-09
title	Crystal structure of Fab 7118 in complex with major repeat region (NANP6) from circumsporozoite protein
keywords	Antibody for Malaria, IMMUNE SYSTEM; IMMUNE SYSTEM
method	X-RAY DIFFRACTION

rg_guinier	26.13 Å
rg_electron	25.12 Å
i0	42026100.00
molecular_weight	49503.0 kDa
excluded_volume	61626 ų
envelope_volume	76331 ų
shell_volume	25686 ų
envelope_diameter	85.6 Å
shell_rg	32.21 Å
envelope_rg	24.92 Å
shape_rg	25.11 Å
total_rg	25.96 Å
total_atoms	3486
n_residues	444
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	84.3 Å
rg_real	26.13 Å
rg_real_error	0.69 Å
i0_real	4.2030e+07
i0_real_error	6.1230e+05
rg_reciprocal	26.14 Å
i0_reciprocal	42030000.0000
total_estimate	0.8835
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	29.0 Å
skewness	0.301
kurtosis	-0.506
angular_range	— – 0.3050 Å−1
current_alpha	0.0000
highest_alpha	7428000.0000
n_real_points	62
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.882; Stabil: 0.981; Sysdev: 1.000; Positv: 1.000; Valcen: 0.973; Smooth: 0.922

Unit Cell

length_a	74.150 Å
length_b	83.395 Å
length_c	89.549 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	—

Refinement

resolution	2.000 Å
resolution_low	41.700 Å
r_factor	0.1822
r_work	0.1802
r_free	0.2174

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/zm/9zmc/pr_distribution.json
• pr_output /app/data/pr_computation/zm/9zmc/9zmc.pr.out
• pr_plot /app/data/visualization/pr_computation/zm/9zmc/9zmc_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/zm/9zmc/9zmc.dat
• saxs_fit /app/data/saxs_computation/zm/9zmc/9zmc.fit
• saxs_log /app/data/saxs_computation/zm/9zmc/9zmc.log
• saxs_plot /app/data/visualization/saxs_computation/zm/9zmc/9zmc_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/zm/9zmc/9zmc.fit
pddf	/app/data/pr_computation/zm/9zmc/9zmc.pr.out
profile	/app/data/saxs_computation/zm/9zmc/9zmc.dat