SI FORM CRAMBIN

entry_id	1ab1
deposition_date	1997-01-31
title	SI FORM CRAMBIN
keywords	THIONIN, PLANT SEED PROTEIN; PLANT SEED PROTEIN
method	X-RAY DIFFRACTION

rg_guinier	10.42 Å
rg_electron	9.61 Å
i0	613560.00
molecular_weight	4773.0 kDa
excluded_volume	5858 ų
envelope_volume	6120 ų
shell_volume	5883 ų
envelope_diameter	32.3 Å
shell_rg	14.33 Å
envelope_rg	9.96 Å
shape_rg	9.63 Å
total_rg	10.93 Å
total_atoms	631
n_residues	46
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	35.3 Å
rg_real	10.41 Å
rg_real_error	0.39 Å
i0_real	6.1360e+05
i0_real_error	6.9990e+03
rg_reciprocal	10.41 Å
i0_reciprocal	613600.0000
total_estimate	0.8775
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	12.1 Å
skewness	0.322
kurtosis	-0.208
angular_range	— – 0.5000 Å−1
current_alpha	0.0000
highest_alpha	71920.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.831; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.969; Smooth: 0.940

Unit Cell

length_a	40.759 Å
length_b	18.404 Å
length_c	22.273 Å
angle_alpha	90.00 °
angle_beta	90.70 °
angle_gamma	90.00 °
z_pdb	2

Symmetry

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

Refinement

resolution	0.890 Å
resolution_low	10.000 Å
r_factor	0.1470
r_work	—
r_free	—

Diffraction

temperature

150.0 K

Files (7)

• pr_distribution /app/data/pr_computation/ab/1ab1/pr_distribution.json
• pr_output /app/data/pr_computation/ab/1ab1/1ab1.pr.out
• pr_plot /app/data/visualization/pr_computation/ab/1ab1/1ab1_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/ab/1ab1/1ab1.dat
• saxs_fit /app/data/saxs_computation/ab/1ab1/1ab1.fit
• saxs_log /app/data/saxs_computation/ab/1ab1/1ab1.log
• saxs_plot /app/data/visualization/saxs_computation/ab/1ab1/1ab1_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/ab/1ab1/1ab1.fit
pddf	/app/data/pr_computation/ab/1ab1/1ab1.pr.out
profile	/app/data/saxs_computation/ab/1ab1/1ab1.dat