GRAMICIDIN CSCL COMPLEX

entry_id	1c4d
deposition_date	1999-06-04
title	GRAMICIDIN CSCL COMPLEX
keywords	ANTIBIOTIC, GRAMICIDIN, ANTIFUNGAL, ANTIBACTERIAL, DOUBLE HELIX, MEMBRANE ION CHANNEL, LINEAR GRAMICIDIN; ANTIBIOTIC
method	X-RAY DIFFRACTION

rg_guinier	12.48 Å
rg_electron	11.76 Å
i0	894575.00
molecular_weight	9250.0 kDa
excluded_volume	12473 ų
envelope_volume	10884 ų
shell_volume	8193 ų
envelope_diameter	40.4 Å
shell_rg	16.89 Å
envelope_rg	12.09 Å
shape_rg	11.74 Å
total_rg	13.50 Å
total_atoms	584
n_residues	32
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	43.5 Å
rg_real	12.44 Å
rg_real_error	0.42 Å
i0_real	8.9460e+05
i0_real_error	1.0820e+04
rg_reciprocal	12.44 Å
i0_reciprocal	894600.0000
total_estimate	0.7843
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	17.6 Å
skewness	0.053
kurtosis	-0.585
angular_range	— – 0.5000 Å−1
current_alpha	0.0000
highest_alpha	22960.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.763; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.905; Smooth: 0.000

Unit Cell

length_a	32.118 Å
length_b	52.103 Å
length_c	31.174 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

Symmetry

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

Refinement

resolution	2.000 Å
resolution_low	5.000 Å
r_factor	0.2320
r_work	0.2320
r_free	—

Diffraction

temperature

290.0 K

Files (7)

• pr_distribution /app/data/pr_computation/c4/1c4d/pr_distribution.json
• pr_output /app/data/pr_computation/c4/1c4d/1c4d.pr.out
• pr_plot /app/data/visualization/pr_computation/c4/1c4d/1c4d_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/c4/1c4d/1c4d.dat
• saxs_fit /app/data/saxs_computation/c4/1c4d/1c4d.fit
• saxs_log /app/data/saxs_computation/c4/1c4d/1c4d.log
• saxs_plot /app/data/visualization/saxs_computation/c4/1c4d/1c4d_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/c4/1c4d/1c4d.fit
pddf	/app/data/pr_computation/c4/1c4d/1c4d.pr.out
profile	/app/data/saxs_computation/c4/1c4d/1c4d.dat