CRYSTAL STRUCTURE OF THE COBALT-ACTIVATED DIPHTHERIA TOXIN REPRESSOR-DNA COMPLEX REVEALS A METAL BINDING SH-LIKE DOMAIN

entry_id	1c0w
deposition_date	1999-07-22
title	CRYSTAL STRUCTURE OF THE COBALT-ACTIVATED DIPHTHERIA TOXIN REPRESSOR-DNA COMPLEX REVEALS A METAL BINDING SH-LIKE DOMAIN
keywords	TOXIN REPRESSOR-DNA COMPLEX, METAL BINDING SH-LIKE DOMAIN, GENE REGULATION-DNA COMPLEX; GENE REGULATION/DNA
method	X-RAY DIFFRACTION

rg_guinier	33.59 Å
rg_electron	34.29 Å
i0	171514000.00
molecular_weight	94769.0 kDa
excluded_volume	114210 ų
envelope_volume	149540 ų
shell_volume	37131 ų
envelope_diameter	122.9 Å
shell_rg	39.98 Å
envelope_rg	33.84 Å
shape_rg	34.37 Å
total_rg	34.42 Å
total_atoms	6575
n_residues	784
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	115.2 Å
rg_real	33.70 Å
rg_real_error	1.01 Å
i0_real	1.7150e+08
i0_real_error	2.8440e+06
rg_reciprocal	33.63 Å
i0_reciprocal	171500000.0000
total_estimate	0.8715
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	36.8 Å
skewness	0.437
kurtosis	-0.262
angular_range	— – 0.2350 Å−1
current_alpha	0.0000
highest_alpha	12720000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.842; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.888; Smooth: 0.912

Unit Cell

length_a	180.200 Å
length_b	180.200 Å
length_c	151.000 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	32

Symmetry

space_group	P 42 2 2
int_tables_number	93
crystal_system	—

Refinement

resolution	3.200 Å
resolution_low	20.000 Å
r_factor	0.2490
r_work	0.2490
r_free	0.2790

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/c0/1c0w/pr_distribution.json
• pr_output /app/data/pr_computation/c0/1c0w/1c0w.pr.out
• pr_plot /app/data/visualization/pr_computation/c0/1c0w/1c0w_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/c0/1c0w/1c0w.dat
• saxs_fit /app/data/saxs_computation/c0/1c0w/1c0w.fit
• saxs_log /app/data/saxs_computation/c0/1c0w/1c0w.log
• saxs_plot /app/data/visualization/saxs_computation/c0/1c0w/1c0w_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/c0/1c0w/1c0w.fit
pddf	/app/data/pr_computation/c0/1c0w/1c0w.pr.out
profile	/app/data/saxs_computation/c0/1c0w/1c0w.dat