HCV NS3 PROTEASE DOMAIN:NS4A PEPTIDE COMPLEX

entry_id	1a1r
deposition_date	1997-12-15
title	HCV NS3 PROTEASE DOMAIN:NS4A PEPTIDE COMPLEX
keywords	VIRAL PROTEIN, SERINE PROTEASE, NONSTRUCTURAL PROTEINS, COFACTOR PEPTIDE, HELICASE; VIRAL PROTEIN
method	X-RAY DIFFRACTION

rg_guinier	23.02 Å
rg_electron	22.29 Å
i0	25831600.00
molecular_weight	38404.0 kDa
excluded_volume	48019 ų
envelope_volume	56111 ų
shell_volume	21559 ų
envelope_diameter	77.0 Å
shell_rg	28.51 Å
envelope_rg	22.43 Å
shape_rg	22.29 Å
total_rg	23.08 Å
total_atoms	3296
n_residues	368
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	74.3 Å
rg_real	23.03 Å
rg_real_error	0.43 Å
i0_real	2.5830e+07
i0_real_error	3.6430e+05
rg_reciprocal	23.03 Å
i0_reciprocal	25830000.0000
total_estimate	0.7385
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	24.0 Å
skewness	0.338
kurtosis	-0.495
angular_range	— – 0.3450 Å−1
current_alpha	0.0000
highest_alpha	7147000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.901; Stabil: 1.000; Sysdev: 0.307; Positv: 1.000; Valcen: 0.977; Smooth: 0.995

Unit Cell

length_a	225.000 Å
length_b	225.000 Å
length_c	75.450 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	36

Symmetry

space_group	H 3 2
int_tables_number	155
crystal_system	—

Refinement

resolution	2.500 Å
resolution_low	6.000 Å
r_factor	0.2160
r_work	0.2160
r_free	0.2610

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/a1/1a1r/pr_distribution.json
• pr_output /app/data/pr_computation/a1/1a1r/1a1r.pr.out
• pr_plot /app/data/visualization/pr_computation/a1/1a1r/1a1r_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/a1/1a1r/1a1r.dat
• saxs_fit /app/data/saxs_computation/a1/1a1r/1a1r.fit
• saxs_log /app/data/saxs_computation/a1/1a1r/1a1r.log
• saxs_plot /app/data/visualization/saxs_computation/a1/1a1r/1a1r_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/a1/1a1r/1a1r.fit
pddf	/app/data/pr_computation/a1/1a1r/1a1r.pr.out
profile	/app/data/saxs_computation/a1/1a1r/1a1r.dat