STRUCTURE OF RUTHENIUM-MODIFIED PSEUDOMONAS AERUGINOSA AZURIN

entry_id	1bex
deposition_date	1998-05-18
title	STRUCTURE OF RUTHENIUM-MODIFIED PSEUDOMONAS AERUGINOSA AZURIN
keywords	AZURIN, ELECTRON TRANSPORT; ELECTRON TRANSPORT
method	X-RAY DIFFRACTION

rg_guinier	19.64 Å
rg_electron	18.79 Å
i0	16247300.00
molecular_weight	29103.0 kDa
excluded_volume	35737 ų
envelope_volume	41501 ų
shell_volume	18645 ų
envelope_diameter	59.5 Å
shell_rg	24.66 Å
envelope_rg	18.75 Å
shape_rg	18.73 Å
total_rg	19.76 Å
total_atoms	2012
n_residues	256
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	59.4 Å
rg_real	19.53 Å
rg_real_error	0.31 Å
i0_real	1.6250e+07
i0_real_error	2.0040e+05
rg_reciprocal	19.55 Å
i0_reciprocal	16250000.0000
total_estimate	0.9125
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	25.1 Å
skewness	0.145
kurtosis	-0.545
angular_range	— – 0.4050 Å−1
current_alpha	0.0000
highest_alpha	2831000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.960; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.980

Unit Cell

length_a	100.600 Å
length_b	35.400 Å
length_c	74.700 Å
angle_alpha	90.00 °
angle_beta	106.50 °
angle_gamma	90.00 °
z_pdb	8

Symmetry

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

Refinement

resolution	2.300 Å
resolution_low	20.000 Å
r_factor	0.2090
r_work	0.2090
r_free	0.2890

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/be/1bex/pr_distribution.json
• pr_output /app/data/pr_computation/be/1bex/1bex.pr.out
• pr_plot /app/data/visualization/pr_computation/be/1bex/1bex_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/be/1bex/1bex.dat
• saxs_fit /app/data/saxs_computation/be/1bex/1bex.fit
• saxs_log /app/data/saxs_computation/be/1bex/1bex.log
• saxs_plot /app/data/visualization/saxs_computation/be/1bex/1bex_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/be/1bex/1bex.fit
pddf	/app/data/pr_computation/be/1bex/1bex.pr.out
profile	/app/data/saxs_computation/be/1bex/1bex.dat