CRYSTAL STRUCTURE OF AN ANTI-CARBOHYDRATE ANTIBODY DIRECTED AGAINST VIBRIO CHOLERAE O1 IN COMPLEX WITH ANTIGEN

entry_id	1f4y
deposition_date	2000-06-10
title	CRYSTAL STRUCTURE OF AN ANTI-CARBOHYDRATE ANTIBODY DIRECTED AGAINST VIBRIO CHOLERAE O1 IN COMPLEX WITH ANTIGEN
keywords	anti-carbohydrate antibody, IMMUNE SYSTEM; IMMUNE SYSTEM
method	X-RAY DIFFRACTION

rg_guinier	24.79 Å
rg_electron	23.82 Å
i0	35972000.00
molecular_weight	45923.0 kDa
excluded_volume	57221 ų
envelope_volume	69766 ų
shell_volume	24600 ų
envelope_diameter	75.4 Å
shell_rg	30.78 Å
envelope_rg	23.55 Å
shape_rg	23.80 Å
total_rg	24.66 Å
total_atoms	3231
n_residues	426
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	74.4 Å
rg_real	24.74 Å
rg_real_error	0.52 Å
i0_real	3.5970e+07
i0_real_error	4.8390e+05
rg_reciprocal	24.75 Å
i0_reciprocal	35970000.0000
total_estimate	0.9156
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	26.0 Å
skewness	0.232
kurtosis	-0.589
angular_range	— – 0.3200 Å−1
current_alpha	0.0000
highest_alpha	6603000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.981; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.968

Unit Cell

length_a	40.690 Å
length_b	113.360 Å
length_c	45.580 Å
angle_alpha	90.00 °
angle_beta	93.93 °
angle_gamma	90.00 °
z_pdb	2

Symmetry

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

Refinement

resolution	2.800 Å
resolution_low	10.000 Å
r_factor	—
r_work	0.2260
r_free	0.3520

Diffraction

temperature

298.0 K

Files (7)

• pr_distribution /app/data/pr_computation/f4/1f4y/pr_distribution.json
• pr_output /app/data/pr_computation/f4/1f4y/1f4y.pr.out
• pr_plot /app/data/visualization/pr_computation/f4/1f4y/1f4y_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/f4/1f4y/1f4y.dat
• saxs_fit /app/data/saxs_computation/f4/1f4y/1f4y.fit
• saxs_log /app/data/saxs_computation/f4/1f4y/1f4y.log
• saxs_plot /app/data/visualization/saxs_computation/f4/1f4y/1f4y_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/f4/1f4y/1f4y.fit
pddf	/app/data/pr_computation/f4/1f4y/1f4y.pr.out
profile	/app/data/saxs_computation/f4/1f4y/1f4y.dat