THE STRUCTURE OF THE PEA LECTIN-D-MANNOPYRANOSE COMPLEX

entry_id	1bqp
deposition_date	1998-08-17
title	THE STRUCTURE OF THE PEA LECTIN-D-MANNOPYRANOSE COMPLEX
keywords	PEA LECTIN, D-MANNOPYRANOSE COMPLEX, CARBOHYDRATE BINDING, PLANT PROTEIN; PLANT PROTEIN
method	X-RAY DIFFRACTION

rg_guinier	25.81 Å
rg_electron	24.84 Å
i0	41984700.00
molecular_weight	50852.0 kDa
excluded_volume	63727 ų
envelope_volume	72479 ų
shell_volume	25104 ų
envelope_diameter	88.2 Å
shell_rg	31.39 Å
envelope_rg	25.06 Å
shape_rg	24.80 Å
total_rg	25.70 Å
total_atoms	3596
n_residues	456
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	85.5 Å
rg_real	25.93 Å
rg_real_error	0.60 Å
i0_real	4.1980e+07
i0_real_error	6.0290e+05
rg_reciprocal	25.90 Å
i0_reciprocal	41980000.0000
total_estimate	0.6913
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	26.6 Å
skewness	0.468
kurtosis	-0.370
angular_range	— – 0.3050 Å−1
current_alpha	0.0000
highest_alpha	6625000.0000
n_real_points	62
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.826; Stabil: 1.000; Sysdev: 0.221; Positv: 1.000; Valcen: 0.919; Smooth: 0.923

Unit Cell

length_a	73.926 Å
length_b	104.083 Å
length_c	64.837 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

Symmetry

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

Refinement

resolution	2.100 Å
resolution_low	8.000 Å
r_factor	0.1610
r_work	0.1610
r_free	0.1880

Diffraction

temperature

293.0 K

Files (7)

• pr_distribution /app/data/pr_computation/bq/1bqp/pr_distribution.json
• pr_output /app/data/pr_computation/bq/1bqp/1bqp.pr.out
• pr_plot /app/data/visualization/pr_computation/bq/1bqp/1bqp_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/bq/1bqp/1bqp.dat
• saxs_fit /app/data/saxs_computation/bq/1bqp/1bqp.fit
• saxs_log /app/data/saxs_computation/bq/1bqp/1bqp.log
• saxs_plot /app/data/visualization/saxs_computation/bq/1bqp/1bqp_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/bq/1bqp/1bqp.fit
pddf	/app/data/pr_computation/bq/1bqp/1bqp.pr.out
profile	/app/data/saxs_computation/bq/1bqp/1bqp.dat