DIPHTHERIA TOX REPRESSOR (C102D MUTANT)/TOX DNA OPERATOR COMPLEX

entry_id	1ddn
deposition_date	1998-06-23
title	DIPHTHERIA TOX REPRESSOR (C102D MUTANT)/TOX DNA OPERATOR COMPLEX
keywords	;COMPLEX (REGULATORY PROTEIN-DNA), DIPHTHERIA TOX REPRESSOR, TRANSCRIPTION REGULATION, DNA-BINDING REGULATORY PROTEIN, IRON-REGULATED REPRESSOR, DNA- PROTEIN, DNA-REPRESSOR COMPLEX, GENE REGULATION-DNA COMPLEX ;; GENE REGULATION/DNA
method	X-RAY DIFFRACTION

rg_guinier	31.50 Å
rg_electron	31.21 Å
i0	128224000.00
molecular_weight	74754.0 kDa
excluded_volume	87080 ų
envelope_volume	118330 ų
shell_volume	32238 ų
envelope_diameter	113.3 Å
shell_rg	37.44 Å
envelope_rg	30.91 Å
shape_rg	31.21 Å
total_rg	31.68 Å
total_atoms	5131
n_residues	538
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	108.3 Å
rg_real	31.52 Å
rg_real_error	0.94 Å
i0_real	1.2820e+08
i0_real_error	1.7880e+06
rg_reciprocal	31.51 Å
i0_reciprocal	128200000.0000
total_estimate	0.8830
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	36.8 Å
skewness	0.298
kurtosis	-0.436
angular_range	— – 0.2500 Å−1
current_alpha	0.0000
highest_alpha	9613000.0000
n_real_points	51
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.871; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.962; Smooth: 0.900

Unit Cell

length_a	117.050 Å
length_b	117.050 Å
length_c	145.340 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

Symmetry

space_group	P 41
int_tables_number	76
crystal_system	—

Refinement

resolution	3.000 Å
resolution_low	8.000 Å
r_factor	—
r_work	0.2400
r_free	0.2800

Diffraction

temperature

277.0 K

Files (7)

• pr_distribution /app/data/pr_computation/dd/1ddn/pr_distribution.json
• pr_output /app/data/pr_computation/dd/1ddn/1ddn.pr.out
• pr_plot /app/data/visualization/pr_computation/dd/1ddn/1ddn_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/dd/1ddn/1ddn.dat
• saxs_fit /app/data/saxs_computation/dd/1ddn/1ddn.fit
• saxs_log /app/data/saxs_computation/dd/1ddn/1ddn.log
• saxs_plot /app/data/visualization/saxs_computation/dd/1ddn/1ddn_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/dd/1ddn/1ddn.fit
pddf	/app/data/pr_computation/dd/1ddn/1ddn.pr.out
profile	/app/data/saxs_computation/dd/1ddn/1ddn.dat