;URACIL-DNA GLYCOSYLASE BOUND TO DNA CONTAINING A 4'-THIO-2'DEOXYURIDINE ANALOG PRODUCT ;

entry_id	1emj
deposition_date	2000-03-16
title	;URACIL-DNA GLYCOSYLASE BOUND TO DNA CONTAINING A 4'-THIO-2'DEOXYURIDINE ANALOG PRODUCT ;
keywords	alpha/beta fold, Uracil-DNA Glycosylase, protein/DNA, hydrolase-DNA COMPLEX; hydrolase/DNA
method	X-RAY DIFFRACTION

rg_guinier	19.62 Å
rg_electron	18.23 Å
i0	20402900.00
molecular_weight	31293.0 kDa
excluded_volume	37769 ų
envelope_volume	44478 ų
shell_volume	20033 ų
envelope_diameter	59.0 Å
shell_rg	24.84 Å
envelope_rg	18.52 Å
shape_rg	18.17 Å
total_rg	19.25 Å
total_atoms	2192
n_residues	241
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	58.4 Å
rg_real	19.47 Å
rg_real_error	0.25 Å
i0_real	2.0400e+07
i0_real_error	2.5040e+05
rg_reciprocal	19.50 Å
i0_reciprocal	20400000.0000
total_estimate	0.9105
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	24.7 Å
skewness	0.095
kurtosis	-0.520
angular_range	— – 0.4050 Å−1
current_alpha	0.0000
highest_alpha	2179000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.956; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.985; Smooth: 0.978

Unit Cell

length_a	48.554 Å
length_b	64.853 Å
length_c	96.010 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

Symmetry

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

Refinement

resolution	2.000 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.2280
r_free	0.2570

Diffraction

temperature

110.0 K

Files (7)

• pr_distribution /app/data/pr_computation/em/1emj/pr_distribution.json
• pr_output /app/data/pr_computation/em/1emj/1emj.pr.out
• pr_plot /app/data/visualization/pr_computation/em/1emj/1emj_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/em/1emj/1emj.dat
• saxs_fit /app/data/saxs_computation/em/1emj/1emj.fit
• saxs_log /app/data/saxs_computation/em/1emj/1emj.log
• saxs_plot /app/data/visualization/saxs_computation/em/1emj/1emj_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/em/1emj/1emj.fit
pddf	/app/data/pr_computation/em/1emj/1emj.pr.out
profile	/app/data/saxs_computation/em/1emj/1emj.dat