PH AFFECTS GLU B13 SWITCHING AND SULFATE BINDING IN CUBIC INSULIN CRYSTALS (PH 6.00 COORDINATES)

entry_id	1b2a
deposition_date	1998-11-26
title	PH AFFECTS GLU B13 SWITCHING AND SULFATE BINDING IN CUBIC INSULIN CRYSTALS (PH 6.00 COORDINATES)
keywords	HORMONE, HORMONE-GROWTH FACTOR COMPLEX; HORMONE/GROWTH FACTOR
method	X-RAY DIFFRACTION

rg_guinier	11.39 Å
rg_electron	9.97 Å
i0	876281.00
molecular_weight	5878.0 kDa
excluded_volume	7230 ų
envelope_volume	7932 ų
shell_volume	7072 ų
envelope_diameter	33.2 Å
shell_rg	15.11 Å
envelope_rg	10.31 Å
shape_rg	9.98 Å
total_rg	11.41 Å
total_atoms	408
n_residues	51
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	35.6 Å
rg_real	11.32 Å
rg_real_error	0.22 Å
i0_real	8.7630e+05
i0_real_error	9.0220e+03
rg_reciprocal	11.32 Å
i0_reciprocal	876300.0000
total_estimate	0.7256
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	14.9 Å
skewness	0.099
kurtosis	-0.348
angular_range	— – 0.5000 Å−1
current_alpha	0.0000
highest_alpha	88830.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.906; Stabil: 1.000; Sysdev: 0.256; Positv: 1.000; Valcen: 0.995; Smooth: 0.947

Unit Cell

length_a	78.748 Å
length_b	78.748 Å
length_c	78.748 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	24

Symmetry

space_group	I 21 3
int_tables_number	199
crystal_system	—

Refinement

resolution	1.700 Å
resolution_low	10.000 Å
r_factor	—
r_work	0.1879
r_free	0.2300

Diffraction

temperature

287.0 K

Files (7)

• pr_distribution /app/data/pr_computation/b2/1b2a/pr_distribution.json
• pr_output /app/data/pr_computation/b2/1b2a/1b2a.pr.out
• pr_plot /app/data/visualization/pr_computation/b2/1b2a/1b2a_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/b2/1b2a/1b2a.dat
• saxs_fit /app/data/saxs_computation/b2/1b2a/1b2a.fit
• saxs_log /app/data/saxs_computation/b2/1b2a/1b2a.log
• saxs_plot /app/data/visualization/saxs_computation/b2/1b2a/1b2a_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/b2/1b2a/1b2a.fit
pddf	/app/data/pr_computation/b2/1b2a/1b2a.pr.out
profile	/app/data/saxs_computation/b2/1b2a/1b2a.dat