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

entry_id	1e4w
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	25.91 Å
rg_electron	24.85 Å
i0	39195200.00
molecular_weight	47421.0 kDa
excluded_volume	58806 ų
envelope_volume	73663 ų
shell_volume	24981 ų
envelope_diameter	82.0 Å
shell_rg	31.85 Å
envelope_rg	24.40 Å
shape_rg	24.81 Å
total_rg	25.73 Å
total_atoms	3333
n_residues	434
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	79.6 Å
rg_real	25.89 Å
rg_real_error	0.54 Å
i0_real	3.9200e+07
i0_real_error	5.3750e+05
rg_reciprocal	25.90 Å
i0_reciprocal	39200000.0000
total_estimate	0.9132
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	27.4 Å
skewness	0.262
kurtosis	-0.593
angular_range	— – 0.3050 Å−1
current_alpha	0.0000
highest_alpha	6965000.0000
n_real_points	62
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.974; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.987; Smooth: 0.958

Unit Cell

length_a	49.220 Å
length_b	94.350 Å
length_c	121.790 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	1.950 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.2040
r_free	0.2690

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/e4/1e4w/pr_distribution.json
• pr_output /app/data/pr_computation/e4/1e4w/1e4w.pr.out
• pr_plot /app/data/visualization/pr_computation/e4/1e4w/1e4w_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/e4/1e4w/1e4w.dat
• saxs_fit /app/data/saxs_computation/e4/1e4w/1e4w.fit
• saxs_log /app/data/saxs_computation/e4/1e4w/1e4w.log
• saxs_plot /app/data/visualization/saxs_computation/e4/1e4w/1e4w_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/e4/1e4w/1e4w.fit
pddf	/app/data/pr_computation/e4/1e4w/1e4w.pr.out
profile	/app/data/saxs_computation/e4/1e4w/1e4w.dat