;DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') COMPLEXED WITH HOECHST 33258 ;

entry_id	127d
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 33258 ;
keywords	B-DNA, DOUBLE HELIX, COMPLEXED WITH DRUG, DNA; DNA
method	X-RAY DIFFRACTION

rg_guinier	13.63 Å
rg_electron	13.04 Å
i0	2892290.00
molecular_weight	7737.0 kDa
excluded_volume	7630 ų
envelope_volume	9737 ų
shell_volume	7157 ų
envelope_diameter	46.1 Å
shell_rg	17.09 Å
envelope_rg	13.40 Å
shape_rg	12.92 Å
total_rg	13.83 Å
total_atoms	518
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	47.4 Å
rg_real	13.72 Å
rg_real_error	0.38 Å
i0_real	2.8920e+06
i0_real_error	3.3510e+04
rg_reciprocal	13.71 Å
i0_reciprocal	2892000.0000
total_estimate	0.8533
solution_quality	GOOD a GOOD 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	179700.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.773; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.776; Smooth: 0.995

Unit Cell

length_a	25.230 Å
length_b	40.580 Å
length_c	66.080 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	2.000 Å
resolution_low	— Å
r_factor	0.1720
r_work	—
r_free	—

Files (7)

• pr_distribution /app/data/pr_computation/27/127d/pr_distribution.json
• pr_output /app/data/pr_computation/27/127d/127d.pr.out
• pr_plot /app/data/visualization/pr_computation/27/127d/127d_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/27/127d/127d.dat
• saxs_fit /app/data/saxs_computation/27/127d/127d.fit
• saxs_log /app/data/saxs_computation/27/127d/127d.log
• saxs_plot /app/data/visualization/saxs_computation/27/127d/127d_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/27/127d/127d.fit
pddf	/app/data/pr_computation/27/127d/127d.pr.out
profile	/app/data/saxs_computation/27/127d/127d.dat