CRYSTAL STRUCTURE OF THE HUMAN AAG DNA REPAIR GLYCOSYLASE COMPLEXED WITH 1,N6-ETHENOADENINE-DNA

entry_id	1ewn
deposition_date	2000-04-26
title	CRYSTAL STRUCTURE OF THE HUMAN AAG DNA REPAIR GLYCOSYLASE COMPLEXED WITH 1,N6-ETHENOADENINE-DNA
keywords	DNA repair, glycosylase, AAG, ANPG, MPG, 3-methyladenine DNA glycosylase, hydrolase-DNA COMPLEX; hydrolase/DNA
method	X-RAY DIFFRACTION

rg_guinier	19.33 Å
rg_electron	18.05 Å
i0	20307400.00
molecular_weight	29259.0 kDa
excluded_volume	34478 ų
envelope_volume	40696 ų
shell_volume	18781 ų
envelope_diameter	62.6 Å
shell_rg	24.38 Å
envelope_rg	18.39 Å
shape_rg	18.02 Å
total_rg	18.94 Å
total_atoms	2028
n_residues	223
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	61.8 Å
rg_real	19.21 Å
rg_real_error	0.25 Å
i0_real	2.0310e+07
i0_real_error	2.3820e+05
rg_reciprocal	19.23 Å
i0_reciprocal	20310000.0000
total_estimate	0.8960
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	25.2 Å
skewness	0.159
kurtosis	-0.410
angular_range	— – 0.4100 Å−1
current_alpha	0.0001
highest_alpha	2740000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.882; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.998

Unit Cell

length_a	42.145 Å
length_b	57.336 Å
length_c	125.517 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	2.100 Å
resolution_low	500.000 Å
r_factor	—
r_work	0.2300
r_free	0.2590

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/ew/1ewn/pr_distribution.json
• pr_output /app/data/pr_computation/ew/1ewn/1ewn.pr.out
• pr_plot /app/data/visualization/pr_computation/ew/1ewn/1ewn_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/ew/1ewn/1ewn.dat
• saxs_fit /app/data/saxs_computation/ew/1ewn/1ewn.fit
• saxs_log /app/data/saxs_computation/ew/1ewn/1ewn.log
• saxs_plot /app/data/visualization/saxs_computation/ew/1ewn/1ewn_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/ew/1ewn/1ewn.fit
pddf	/app/data/pr_computation/ew/1ewn/1ewn.pr.out
profile	/app/data/saxs_computation/ew/1ewn/1ewn.dat