crossreactive binding of a circularized peptide to an anti-TGFalpha antibody Fab-fragment

entry_id	1e4x
deposition_date	2000-07-12
title	crossreactive binding of a circularized peptide to an anti-TGFalpha antibody Fab-fragment
keywords	IMMUNE SYSTEM, COMPLEX (ANTIBODY-ANTIGEN), CROSS-REACTIVITY, PROTEIN-PEPTIDE RECOGNITION; IMMUNE SYSTEM
method	X-RAY DIFFRACTION

rg_guinier	33.83 Å
rg_electron	32.96 Å
i0	148125000.00
molecular_weight	95317.0 kDa
excluded_volume	118430 ų
envelope_volume	155110 ų
shell_volume	39507 ų
envelope_diameter	102.9 Å
shell_rg	39.73 Å
envelope_rg	31.92 Å
shape_rg	32.95 Å
total_rg	33.52 Å
total_atoms	6708
n_residues	875
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	104.9 Å
rg_real	33.71 Å
rg_real_error	0.74 Å
i0_real	1.4810e+08
i0_real_error	2.4190e+06
rg_reciprocal	33.79 Å
i0_reciprocal	148100000.0000
total_estimate	0.9130
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	44.6 Å
skewness	0.094
kurtosis	-0.662
angular_range	— – 0.2350 Å−1
current_alpha	0.0000
highest_alpha	16730000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.967; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.967

Unit Cell

length_a	173.820 Å
length_b	45.090 Å
length_c	120.410 Å
angle_alpha	90.00 °
angle_beta	99.13 °
angle_gamma	90.00 °
z_pdb	8

Symmetry

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

Refinement

resolution	1.900 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.2450
r_free	0.3110

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/e4/1e4x/pr_distribution.json
• pr_output /app/data/pr_computation/e4/1e4x/1e4x.pr.out
• pr_plot /app/data/visualization/pr_computation/e4/1e4x/1e4x_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/e4/1e4x/1e4x.dat
• saxs_fit /app/data/saxs_computation/e4/1e4x/1e4x.fit
• saxs_log /app/data/saxs_computation/e4/1e4x/1e4x.log
• saxs_plot /app/data/visualization/saxs_computation/e4/1e4x/1e4x_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/e4/1e4x/1e4x.fit
pddf	/app/data/pr_computation/e4/1e4x/1e4x.pr.out
profile	/app/data/saxs_computation/e4/1e4x/1e4x.dat