CRYSTAL STRUCTURE OF HMG1 DOMAIN A BOUND TO A CISPLATIN-MODIFIED DNA DUPLEX

entry_id	1ckt
deposition_date	1999-04-23
title	CRYSTAL STRUCTURE OF HMG1 DOMAIN A BOUND TO A CISPLATIN-MODIFIED DNA DUPLEX
keywords	HIGH-MOBILITY GROUP DOMAIN, BENT DNA, PROTEIN-DRUG-DNA COMPLEX, GENE REGULATION-DNA COMPLEX; GENE REGULATION/DNA
method	X-RAY DIFFRACTION

rg_guinier	17.38 Å
rg_electron	16.81 Å
i0	11612300.00
molecular_weight	18164.0 kDa
excluded_volume	19445 ų
envelope_volume	25629 ų
shell_volume	13422 ų
envelope_diameter	58.9 Å
shell_rg	21.82 Å
envelope_rg	16.88 Å
shape_rg	16.78 Å
total_rg	17.50 Å
total_atoms	1215
n_residues	102
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	56.9 Å
rg_real	17.32 Å
rg_real_error	0.44 Å
i0_real	1.1610e+07
i0_real_error	1.3500e+05
rg_reciprocal	17.33 Å
i0_reciprocal	11610000.0000
total_estimate	0.7823
solution_quality	GOOD a GOOD solution
n_peaks	4
r_peak_primary	24.7 Å
skewness	0.190
kurtosis	-0.456
angular_range	— – 0.4600 Å−1
current_alpha	0.0000
highest_alpha	882300.0000
n_real_points	77
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.773; Stabil: 0.951; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.000

Unit Cell

length_a	105.210 Å
length_b	50.410 Å
length_c	53.130 Å
angle_alpha	90.00 °
angle_beta	99.82 °
angle_gamma	90.00 °
z_pdb	4

Symmetry

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

Refinement

resolution	2.500 Å
resolution_low	100.000 Å
r_factor	0.2380
r_work	0.2380
r_free	0.2390

Diffraction

temperature

123.0 K

Files (7)

• pr_distribution /app/data/pr_computation/ck/1ckt/pr_distribution.json
• pr_output /app/data/pr_computation/ck/1ckt/1ckt.pr.out
• pr_plot /app/data/visualization/pr_computation/ck/1ckt/1ckt_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/ck/1ckt/1ckt.dat
• saxs_fit /app/data/saxs_computation/ck/1ckt/1ckt.fit
• saxs_log /app/data/saxs_computation/ck/1ckt/1ckt.log
• saxs_plot /app/data/visualization/saxs_computation/ck/1ckt/1ckt_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/ck/1ckt/1ckt.fit
pddf	/app/data/pr_computation/ck/1ckt/1ckt.pr.out
profile	/app/data/saxs_computation/ck/1ckt/1ckt.dat