;DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') COMPLEXED WITH HOECHST 33342 ;

entry_id	129d
deposition_date	1993-06-30
title	;DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') COMPLEXED WITH HOECHST 33342 ;
keywords	B-DNA, DOUBLE HELIX, COMPLEXED WITH DRUG, DNA; DNA
method	X-RAY DIFFRACTION

rg_guinier	13.69 Å
rg_electron	13.07 Å
i0	2889700.00
molecular_weight	7766.0 kDa
excluded_volume	7683 ų
envelope_volume	9848 ų
shell_volume	7207 ų
envelope_diameter	47.2 Å
shell_rg	17.23 Å
envelope_rg	13.46 Å
shape_rg	12.95 Å
total_rg	13.88 Å
total_atoms	520
n_residues	24
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	47.5 Å
rg_real	13.78 Å
rg_real_error	0.33 Å
i0_real	2.8900e+06
i0_real_error	3.3340e+04
rg_reciprocal	13.77 Å
i0_reciprocal	2890000.0000
total_estimate	0.7083
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	14.4 Å
skewness	0.486
kurtosis	-0.248
angular_range	— – 0.5000 Å−1
current_alpha	0.0000
highest_alpha	182100.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.778; Stabil: 1.000; Sysdev: 0.368; Positv: 1.000; Valcen: 0.782; Smooth: 0.985

Unit Cell

length_a	25.686 Å
length_b	41.065 Å
length_c	66.416 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

Symmetry

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

Refinement

resolution	2.250 Å
resolution_low	— Å
r_factor	0.1680
r_work	—
r_free	—

Files (7)

• pr_distribution /app/data/pr_computation/29/129d/pr_distribution.json
• pr_output /app/data/pr_computation/29/129d/129d.pr.out
• pr_plot /app/data/visualization/pr_computation/29/129d/129d_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/29/129d/129d.dat
• saxs_fit /app/data/saxs_computation/29/129d/129d.fit
• saxs_log /app/data/saxs_computation/29/129d/129d.log
• saxs_plot /app/data/visualization/saxs_computation/29/129d/129d_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/29/129d/129d.fit
pddf	/app/data/pr_computation/29/129d/129d.pr.out
profile	/app/data/saxs_computation/29/129d/129d.dat