CRYSTAL STRUCTURE OF THE ANTI-PRION FAB 3F4 IN COMPLEX WITH ITS PEPTIDE EPITOPE

entry_id	1cu4
deposition_date	1999-08-20
title	CRYSTAL STRUCTURE OF THE ANTI-PRION FAB 3F4 IN COMPLEX WITH ITS PEPTIDE EPITOPE
keywords	IMMUNOGLOBULIN FOLD, IMMUNE SYSTEM; IMMUNE SYSTEM
method	X-RAY DIFFRACTION

rg_guinier	25.56 Å
rg_electron	24.56 Å
i0	40657800.00
molecular_weight	48322.0 kDa
excluded_volume	60019 ų
envelope_volume	73971 ų
shell_volume	25412 ų
envelope_diameter	84.2 Å
shell_rg	31.46 Å
envelope_rg	24.30 Å
shape_rg	24.51 Å
total_rg	25.47 Å
total_atoms	3393
n_residues	443
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	85.5 Å
rg_real	25.56 Å
rg_real_error	0.52 Å
i0_real	4.0660e+07
i0_real_error	6.1230e+05
rg_reciprocal	25.56 Å
i0_reciprocal	40660000.0000
total_estimate	0.8923
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	27.6 Å
skewness	0.309
kurtosis	-0.479
angular_range	— – 0.3100 Å−1
current_alpha	0.0000
highest_alpha	11390000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.877; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.975; Smooth: 0.990

Unit Cell

length_a	39.470 Å
length_b	77.350 Å
length_c	134.070 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	2.900 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.1590
r_free	0.2680

Diffraction

temperature

298.0 K

Files (7)

• pr_distribution /app/data/pr_computation/cu/1cu4/pr_distribution.json
• pr_output /app/data/pr_computation/cu/1cu4/1cu4.pr.out
• pr_plot /app/data/visualization/pr_computation/cu/1cu4/1cu4_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/cu/1cu4/1cu4.dat
• saxs_fit /app/data/saxs_computation/cu/1cu4/1cu4.fit
• saxs_log /app/data/saxs_computation/cu/1cu4/1cu4.log
• saxs_plot /app/data/visualization/saxs_computation/cu/1cu4/1cu4_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/cu/1cu4/1cu4.fit
pddf	/app/data/pr_computation/cu/1cu4/1cu4.pr.out
profile	/app/data/saxs_computation/cu/1cu4/1cu4.dat