MANNOSE-SPECIFIC AGGLUTININ (LECTIN) FROM GARLIC (ALLIUM SATIVUM) BULBS COMPLEXED WITH ALPHA-D-MANNOSE

entry_id	1bwu
deposition_date	1998-09-28
title	MANNOSE-SPECIFIC AGGLUTININ (LECTIN) FROM GARLIC (ALLIUM SATIVUM) BULBS COMPLEXED WITH ALPHA-D-MANNOSE
keywords	BULB LECTIN, MANNOSE, PLANT PROTEIN; PLANT PROTEIN
method	X-RAY DIFFRACTION

rg_guinier	27.29 Å
rg_electron	26.48 Å
i0	45394600.00
molecular_weight	50139.0 kDa
excluded_volume	61675 ų
envelope_volume	77203 ų
shell_volume	24894 ų
envelope_diameter	89.7 Å
shell_rg	32.92 Å
envelope_rg	26.11 Å
shape_rg	26.44 Å
total_rg	27.26 Å
total_atoms	3527
n_residues	430
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	85.9 Å
rg_real	27.27 Å
rg_real_error	0.62 Å
i0_real	4.5390e+07
i0_real_error	6.4610e+05
rg_reciprocal	27.28 Å
i0_reciprocal	45390000.0000
total_estimate	0.9044
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	28.1 Å
skewness	0.245
kurtosis	-0.552
angular_range	— – 0.2900 Å−1
current_alpha	0.0000
highest_alpha	6007000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.958; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.892

Unit Cell

length_a	203.243 Å
length_b	43.780 Å
length_c	79.268 Å
angle_alpha	90.00 °
angle_beta	112.37 °
angle_gamma	90.00 °
z_pdb	4

Symmetry

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

Refinement

resolution	2.800 Å
resolution_low	9.000 Å
r_factor	0.2260
r_work	0.2260
r_free	0.2780

Diffraction

temperature

298.0 K

Files (7)

• pr_distribution /app/data/pr_computation/bw/1bwu/pr_distribution.json
• pr_output /app/data/pr_computation/bw/1bwu/1bwu.pr.out
• pr_plot /app/data/visualization/pr_computation/bw/1bwu/1bwu_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/bw/1bwu/1bwu.dat
• saxs_fit /app/data/saxs_computation/bw/1bwu/1bwu.fit
• saxs_log /app/data/saxs_computation/bw/1bwu/1bwu.log
• saxs_plot /app/data/visualization/saxs_computation/bw/1bwu/1bwu_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/bw/1bwu/1bwu.fit
pddf	/app/data/pr_computation/bw/1bwu/1bwu.pr.out
profile	/app/data/saxs_computation/bw/1bwu/1bwu.dat