BINARY COMPLEX OF PERTUSSIS TOXIN AND ATP

entry_id	1bcp
deposition_date	1995-11-21
title	BINARY COMPLEX OF PERTUSSIS TOXIN AND ATP
keywords	TOXIN, ADP-RIBOSYLTRANSFERASE, TRANSFERASE, WHOOPING COUGH; TOXIN
method	X-RAY DIFFRACTION

rg_guinier	51.31 Å
rg_electron	51.60 Å
i0	638181000.00
molecular_weight	207850.0 kDa
excluded_volume	258910 ų
envelope_volume	336580 ų
shell_volume	56753 ų
envelope_diameter	171.2 Å
shell_rg	50.95 Å
envelope_rg	50.95 Å
shape_rg	51.65 Å
total_rg	51.42 Å
total_atoms	14580
n_residues	1870
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	156.7 Å
rg_real	51.65 Å
rg_real_error	1.68 Å
i0_real	6.3820e+08
i0_real_error	1.2680e+07
rg_reciprocal	51.00 Å
i0_reciprocal	637600000.0000
total_estimate	0.7683
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	40.4 Å
skewness	0.404
kurtosis	-0.837
angular_range	— – 0.1550 Å−1
current_alpha	0.0000
highest_alpha	54350000.0000
n_real_points	32
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.752; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.729; Smooth: 0.001

Unit Cell

length_a	163.800 Å
length_b	98.200 Å
length_c	194.500 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

Symmetry

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

Refinement

resolution	2.700 Å
resolution_low	8.000 Å
r_factor	0.2320
r_work	0.2320
r_free	—

Diffraction

temperature

293.0 K

Files (7)

• pr_distribution /app/data/pr_computation/bc/1bcp/pr_distribution.json
• pr_output /app/data/pr_computation/bc/1bcp/1bcp.pr.out
• pr_plot /app/data/visualization/pr_computation/bc/1bcp/1bcp_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/bc/1bcp/1bcp.dat
• saxs_fit /app/data/saxs_computation/bc/1bcp/1bcp.fit
• saxs_log /app/data/saxs_computation/bc/1bcp/1bcp.log
• saxs_plot /app/data/visualization/saxs_computation/bc/1bcp/1bcp_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/bc/1bcp/1bcp.fit
pddf	/app/data/pr_computation/bc/1bcp/1bcp.pr.out
profile	/app/data/saxs_computation/bc/1bcp/1bcp.dat