Refined crystal structure of canavalin from jack bean

entry_id	1dgr
deposition_date	1999-11-25
title	Refined crystal structure of canavalin from jack bean
keywords	DUPLICATED DOMAINS BETA BARREL HELICAL LOOP, PLANT PROTEIN; PLANT PROTEIN
method	X-RAY DIFFRACTION

rg_guinier	33.74 Å
rg_electron	32.59 Å
i0	217135000.00
molecular_weight	118510.0 kDa
excluded_volume	148400 ų
envelope_volume	182540 ų
shell_volume	45711 ų
envelope_diameter	101.4 Å
shell_rg	40.41 Å
envelope_rg	32.23 Å
shape_rg	32.59 Å
total_rg	33.18 Å
total_atoms	8362
n_residues	1039
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	103.5 Å
rg_real	33.65 Å
rg_real_error	0.55 Å
i0_real	2.1710e+08
i0_real_error	3.4620e+06
rg_reciprocal	33.71 Å
i0_reciprocal	217100000.0000
total_estimate	0.9086
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	35.2 Å
skewness	0.175
kurtosis	-0.677
angular_range	— – 0.2350 Å−1
current_alpha	0.0000
highest_alpha	151900000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.964; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.917

Unit Cell

length_a	136.500 Å
length_b	150.300 Å
length_c	133.400 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	24

Symmetry

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

Refinement

resolution	2.600 Å
resolution_low	200.000 Å
r_factor	0.1840
r_work	0.1800
r_free	0.2260

Diffraction

temperature

298.0 K

Files (7)

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

Curves (3)

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