CATALYTIC ANTIBODY 4B2 IN COMPLEX WITH ITS AMIDINIUM HAPTEN.

entry_id	1f3d
deposition_date	2000-06-02
title	CATALYTIC ANTIBODY 4B2 IN COMPLEX WITH ITS AMIDINIUM HAPTEN.
keywords	catalytic antibody, amidinium, haptenic charge, IMMUNE SYSTEM; IMMUNE SYSTEM
method	X-RAY DIFFRACTION

rg_guinier	40.85 Å
rg_electron	41.35 Å
i0	135855000.00
molecular_weight	94100.0 kDa
excluded_volume	117550 ų
envelope_volume	162390 ų
shell_volume	37301 ų
envelope_diameter	150.5 Å
shell_rg	40.05 Å
envelope_rg	41.06 Å
shape_rg	41.33 Å
total_rg	41.32 Å
total_atoms	6635
n_residues	868
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	149.1 Å
rg_real	41.42 Å
rg_real_error	1.94 Å
i0_real	1.3590e+08
i0_real_error	2.1650e+06
rg_reciprocal	40.85 Å
i0_reciprocal	135800000.0000
total_estimate	0.7366
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	34.4 Å
skewness	0.655
kurtosis	-0.286
angular_range	— – 0.1950 Å−1
current_alpha	0.0000
highest_alpha	10800000.0000
n_real_points	40
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.499; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.280; Smooth: 0.795

Unit Cell

length_a	45.000 Å
length_b	87.200 Å
length_c	128.800 Å
angle_alpha	90.00 °
angle_beta	97.60 °
angle_gamma	90.00 °
z_pdb	4

Symmetry

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

Refinement

resolution	1.870 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.1980
r_free	0.2180

Diffraction

temperature

277.0 K

Files (7)

• pr_distribution /app/data/pr_computation/f3/1f3d/pr_distribution.json
• pr_output /app/data/pr_computation/f3/1f3d/1f3d.pr.out
• pr_plot /app/data/visualization/pr_computation/f3/1f3d/1f3d_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/f3/1f3d/1f3d.dat
• saxs_fit /app/data/saxs_computation/f3/1f3d/1f3d.fit
• saxs_log /app/data/saxs_computation/f3/1f3d/1f3d.log
• saxs_plot /app/data/visualization/saxs_computation/f3/1f3d/1f3d_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/f3/1f3d/1f3d.fit
pddf	/app/data/pr_computation/f3/1f3d/1f3d.pr.out
profile	/app/data/saxs_computation/f3/1f3d/1f3d.dat