Structure of the rhombohedral crystal of canavalin from jack bean

entry_id	1dgw
deposition_date	1999-11-26
title	Structure of the rhombohedral crystal of canavalin from jack bean
keywords	DUPLICATED SWISS-ROLL BETA BARRELS, LOOPS WITH ALPHA HELICES, MEROHEDRAL/ HEMIHEDRAL TWINNING, PLANT PROTEIN; PLANT PROTEIN
method	X-RAY DIFFRACTION

rg_guinier	24.65 Å
rg_electron	23.90 Å
i0	26707600.00
molecular_weight	39491.0 kDa
excluded_volume	49437 ų
envelope_volume	62150 ų
shell_volume	23209 ų
envelope_diameter	96.6 Å
shell_rg	29.20 Å
envelope_rg	24.78 Å
shape_rg	23.92 Å
total_rg	24.47 Å
total_atoms	2787
n_residues	346
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	94.9 Å
rg_real	24.96 Å
rg_real_error	1.27 Å
i0_real	2.6710e+07
i0_real_error	4.5820e+05
rg_reciprocal	24.88 Å
i0_reciprocal	26710000.0000
total_estimate	0.7612
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	27.1 Å
skewness	0.762
kurtosis	0.611
angular_range	— – 0.3200 Å−1
current_alpha	0.0000
highest_alpha	3149000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.425; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.647; Smooth: 0.971

Unit Cell

length_a	136.876 Å
length_b	136.876 Å
length_c	76.004 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	9

Symmetry

space_group	H 3
int_tables_number	146
crystal_system	—

Refinement

resolution	1.700 Å
resolution_low	300.000 Å
r_factor	0.1920
r_work	0.1890
r_free	0.2520

Diffraction

temperature

298.0 K

Files (7)

• pr_distribution /app/data/pr_computation/dg/1dgw/pr_distribution.json
• pr_output /app/data/pr_computation/dg/1dgw/1dgw.pr.out
• pr_plot /app/data/visualization/pr_computation/dg/1dgw/1dgw_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/dg/1dgw/1dgw.dat
• saxs_fit /app/data/saxs_computation/dg/1dgw/1dgw.fit
• saxs_log /app/data/saxs_computation/dg/1dgw/1dgw.log
• saxs_plot /app/data/visualization/saxs_computation/dg/1dgw/1dgw_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/dg/1dgw/1dgw.fit
pddf	/app/data/pr_computation/dg/1dgw/1dgw.pr.out
profile	/app/data/saxs_computation/dg/1dgw/1dgw.dat