LEECH-DERIVED TRYPTASE INHIBITOR/TRYPSIN COMPLEX

entry_id	1an1
deposition_date	1997-06-26
title	LEECH-DERIVED TRYPTASE INHIBITOR/TRYPSIN COMPLEX
keywords	;SERINE PROTEINASE INHIBITOR, TRYPTASE INHIBITION, NON-CLASSICAL KAZAL-TYPE INHIBITOR, COMPLEX (SERINE PROTEASE-INHIBITOR), COMPLEX (SERINE PROTEASE-INHIBITOR) complex ;; COMPLEX (SERINE PROTEASE/INHIBITOR)
method	X-RAY DIFFRACTION

rg_guinier	18.26 Å
rg_electron	17.16 Å
i0	14697200.00
molecular_weight	27625.0 kDa
excluded_volume	34086 ų
envelope_volume	38129 ų
shell_volume	18331 ų
envelope_diameter	54.9 Å
shell_rg	23.64 Å
envelope_rg	17.37 Å
shape_rg	17.15 Å
total_rg	18.14 Å
total_atoms	1924
n_residues	262
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	54.8 Å
rg_real	18.13 Å
rg_real_error	0.19 Å
i0_real	1.4700e+07
i0_real_error	1.5580e+05
rg_reciprocal	18.15 Å
i0_reciprocal	14700000.0000
total_estimate	0.7510
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	23.7 Å
skewness	0.104
kurtosis	-0.477
angular_range	— – 0.4350 Å−1
current_alpha	0.0000
highest_alpha	3065000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.940; Stabil: 1.000; Sysdev: 0.330; Positv: 1.000; Valcen: 0.979; Smooth: 0.972

Unit Cell

length_a	63.700 Å
length_b	63.700 Å
length_c	130.860 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

Symmetry

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

Refinement

resolution	2.030 Å
resolution_low	6.000 Å
r_factor	0.1700
r_work	0.1700
r_free	0.2280

Diffraction

temperature

294.0 K

Files (7)

• pr_distribution /app/data/pr_computation/an/1an1/pr_distribution.json
• pr_output /app/data/pr_computation/an/1an1/1an1.pr.out
• pr_plot /app/data/visualization/pr_computation/an/1an1/1an1_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/an/1an1/1an1.dat
• saxs_fit /app/data/saxs_computation/an/1an1/1an1.fit
• saxs_log /app/data/saxs_computation/an/1an1/1an1.log
• saxs_plot /app/data/visualization/saxs_computation/an/1an1/1an1_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/an/1an1/1an1.fit
pddf	/app/data/pr_computation/an/1an1/1an1.pr.out
profile	/app/data/saxs_computation/an/1an1/1an1.dat