COMPLEX OF ASCARIS CHYMOTRPSIN/ELASTASE INHIBITOR WITH PORCINE ELASTASE

entry_id	1eai
deposition_date	1999-03-25
title	COMPLEX OF ASCARIS CHYMOTRPSIN/ELASTASE INHIBITOR WITH PORCINE ELASTASE
keywords	SERINE PROTEINASE, ELASTASE, ASCARIS SUMM, PROTEIN INHIBITOR; SERINE PROTEINASE
method	X-RAY DIFFRACTION

rg_guinier	28.52 Å
rg_electron	27.98 Å
i0	79242300.00
molecular_weight	65011.0 kDa
excluded_volume	79440 ų
envelope_volume	105360 ų
shell_volume	31657 ų
envelope_diameter	94.9 Å
shell_rg	35.31 Å
envelope_rg	27.40 Å
shape_rg	28.02 Å
total_rg	28.59 Å
total_atoms	4540
n_residues	602
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	90.7 Å
rg_real	28.50 Å
rg_real_error	0.72 Å
i0_real	7.9240e+07
i0_real_error	1.1730e+06
rg_reciprocal	28.51 Å
i0_reciprocal	79240000.0000
total_estimate	0.8287
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	32.4 Å
skewness	0.292
kurtosis	-0.525
angular_range	— – 0.2800 Å−1
current_alpha	0.0000
highest_alpha	14190000.0000
n_real_points	57
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.929; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.987; Smooth: 0.000

Unit Cell

length_a	84.020 Å
length_b	84.020 Å
length_c	190.930 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

Symmetry

space_group	P 32 2 1
int_tables_number	154
crystal_system	—

Refinement

resolution	2.400 Å
resolution_low	20.000 Å
r_factor	—
r_work	—
r_free	—

Diffraction

temperature

287.0 K

Files (7)

• pr_distribution /app/data/pr_computation/ea/1eai/pr_distribution.json
• pr_output /app/data/pr_computation/ea/1eai/1eai.pr.out
• pr_plot /app/data/visualization/pr_computation/ea/1eai/1eai_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/ea/1eai/1eai.dat
• saxs_fit /app/data/saxs_computation/ea/1eai/1eai.fit
• saxs_log /app/data/saxs_computation/ea/1eai/1eai.log
• saxs_plot /app/data/visualization/saxs_computation/ea/1eai/1eai_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/ea/1eai/1eai.fit
pddf	/app/data/pr_computation/ea/1eai/1eai.pr.out
profile	/app/data/saxs_computation/ea/1eai/1eai.dat