CRYSTAL STRUCTURE OF A DESIGNED, THERMOSTABLE HETEROTRIMERIC COILED COIL

entry_id	1bb1
deposition_date	1998-04-28
title	CRYSTAL STRUCTURE OF A DESIGNED, THERMOSTABLE HETEROTRIMERIC COILED COIL
keywords	DE NOVO PROTEIN DESIGN, COILED COIL; DE NOVO PROTEIN DESIGN
method	X-RAY DIFFRACTION

rg_guinier	16.65 Å
rg_electron	16.18 Å
i0	2183440.00
molecular_weight	11032.0 kDa
excluded_volume	14227 ų
envelope_volume	16517 ų
shell_volume	9764 ų
envelope_diameter	58.4 Å
shell_rg	19.98 Å
envelope_rg	16.74 Å
shape_rg	16.18 Å
total_rg	17.06 Å
total_atoms	775
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	58.5 Å
rg_real	16.86 Å
rg_real_error	0.48 Å
i0_real	2.1830e+06
i0_real_error	2.6200e+04
rg_reciprocal	16.84 Å
i0_reciprocal	2183000.0000
total_estimate	0.6762
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	15.2 Å
skewness	0.618
kurtosis	-0.026
angular_range	— – 0.4800 Å−1
current_alpha	0.0000
highest_alpha	657000.0000
n_real_points	78
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.344; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.754; Smooth: 0.000

Unit Cell

length_a	21.930 Å
length_b	35.010 Å
length_c	66.460 Å
angle_alpha	90.00 °
angle_beta	93.70 °
angle_gamma	90.00 °
z_pdb	2

Symmetry

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

Refinement

resolution	1.800 Å
resolution_low	6.000 Å
r_factor	0.2080
r_work	0.2080
r_free	0.2690

Diffraction

temperature

173.0 K

Files (7)

• pr_distribution /app/data/pr_computation/bb/1bb1/pr_distribution.json
• pr_output /app/data/pr_computation/bb/1bb1/1bb1.pr.out
• pr_plot /app/data/visualization/pr_computation/bb/1bb1/1bb1_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/bb/1bb1/1bb1.dat
• saxs_fit /app/data/saxs_computation/bb/1bb1/1bb1.fit
• saxs_log /app/data/saxs_computation/bb/1bb1/1bb1.log
• saxs_plot /app/data/visualization/saxs_computation/bb/1bb1/1bb1_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/bb/1bb1/1bb1.fit
pddf	/app/data/pr_computation/bb/1bb1/1bb1.pr.out
profile	/app/data/saxs_computation/bb/1bb1/1bb1.dat