COMPLEX PORCINE PANCREATIC TRYPSIN/SOYBEAN TRYPSIN INHIBITOR, ORTHORHOMBIC CRYSTAL FORM

entry_id	1avw
deposition_date	1997-09-21
title	COMPLEX PORCINE PANCREATIC TRYPSIN/SOYBEAN TRYPSIN INHIBITOR, ORTHORHOMBIC CRYSTAL FORM
keywords	;COMPLEX (PROTEINASE-INHIBITOR), PORCINE TRYPSIN, SOYBEAN TRYPSIN INHIBITOR, KUNITZ-TYPE, BETA-TREFOIL FOLD, COMPLEX (PROTEINASE-INHIBITOR) complex ;; COMPLEX (PROTEINASE/INHIBITOR)
method	X-RAY DIFFRACTION

rg_guinier	22.60 Å
rg_electron	21.80 Å
i0	30154400.00
molecular_weight	41343.0 kDa
excluded_volume	51370 ų
envelope_volume	59944 ų
shell_volume	23149 ų
envelope_diameter	74.6 Å
shell_rg	28.32 Å
envelope_rg	22.03 Å
shape_rg	21.77 Å
total_rg	22.69 Å
total_atoms	2900
n_residues	394
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	74.0 Å
rg_real	22.60 Å
rg_real_error	0.37 Å
i0_real	3.0150e+07
i0_real_error	4.1630e+05
rg_reciprocal	22.60 Å
i0_reciprocal	30150000.0000
total_estimate	0.8881
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.8 Å
skewness	0.385
kurtosis	-0.300
angular_range	— – 0.3500 Å−1
current_alpha	0.0000
highest_alpha	7545000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.851; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.993

Unit Cell

length_a	58.910 Å
length_b	62.330 Å
length_c	151.460 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

Symmetry

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

Refinement

resolution	1.750 Å
resolution_low	8.000 Å
r_factor	0.1890
r_work	0.1890
r_free	0.2140

Diffraction

temperature

293.0 K

Files (7)

• pr_distribution /app/data/pr_computation/av/1avw/pr_distribution.json
• pr_output /app/data/pr_computation/av/1avw/1avw.pr.out
• pr_plot /app/data/visualization/pr_computation/av/1avw/1avw_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/av/1avw/1avw.dat
• saxs_fit /app/data/saxs_computation/av/1avw/1avw.fit
• saxs_log /app/data/saxs_computation/av/1avw/1avw.log
• saxs_plot /app/data/visualization/saxs_computation/av/1avw/1avw_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/av/1avw/1avw.fit
pddf	/app/data/pr_computation/av/1avw/1avw.pr.out
profile	/app/data/saxs_computation/av/1avw/1avw.dat