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1af0

SERRATIA PROTEASE IN COMPLEX WITH INHIBITOR

Method: X-RAY DIFFRACTION D_max: 95.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1af0
deposition_date	1997-03-20
title	SERRATIA PROTEASE IN COMPLEX WITH INHIBITOR
keywords	METALLOPROTEASE, SERRALYSIN, HYDROLASE-HYDROLASE INHIBITOR complex; HYDROLASE/HYDROLASE INHIBITOR
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	26.29 Å
rg_electron	26.15 Å
i0	82145500.00
molecular_weight	47312.0 kDa
excluded_volume	45487 Å³
envelope_volume	73649 Å³
shell_volume	25125 Å³
envelope_diameter	97.1 Å
shell_rg	31.64 Å
envelope_rg	26.64 Å
shape_rg	26.17 Å
total_rg	26.54 Å
total_atoms	3574
n_residues	470
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	95.7 Å
rg_real	26.56 Å
rg_real_error	0.90 Å
i0_real	8.2150e+07
i0_real_error	1.1520e+06
rg_reciprocal	26.48 Å
i0_reciprocal	82140000.0000
total_estimate	0.7956
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	25.5 Å
skewness	0.640
kurtosis	-0.037
angular_range	— – 0.3000 Å⁻¹
current_alpha	0.0000
highest_alpha	11430000.0000
n_real_points	61
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.577; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.626; Smooth: 0.983

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	SERRATIA PROTEASE
formula_weight	50413.2 kDa
ec_number	3.4.24.40
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3780

AATTGYDAVDDLLHYHERGNGIQINGKDSFSNEQAGLFITRENQTWNGYKVFGQPVKLTFSFPDYKFSSTNVAGDTGLSKFSAEQQQQAKLSLQSWADVANITFTEVAAGQKANITFGNYSQDRPGHYDYGTQAYAFLPNTIWQGQDLGGQTWYNVNQSNVKHPATEDYGRQTFTHEIGHALGLSHPGDYNAGEGDPTYNDVTYAEDTRQFSLMSYWSETNTGGDNGGHYAAAPLLDDIAAIQHLYGANLSTRTGDTVYGFNSNTGRDFLSTTSNSQKVIFAAWDAGGNDTFDFSGYTANQRINLNEKSFSDVGGLKGNVSIAAGVTIENAIGGSGNDVIVGNAANNVLKGGAGNDVLFGGGGADELWGGAGKDIFVFSAASDSAPGASDWIRDFQKGIDKIDLSFFDKEANSSSFIHFVDHFSGTAGEALLSYNASSNVTDLSVNIGGHQAPDFLVKIVGQVDVATDFIV

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	7

Entity 4 non-polymer

description	N-[(benzyloxy)carbonyl]-L-leucyl-N-hydroxy-L-alaninamide
formula_weight	351.4 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	206

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6. Citations (5)

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length_a	151.000 Å
length_b	109.200 Å
length_c	42.600 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.800 Å
resolution_low	30.000 Å
r_factor	0.2420
r_work	—
r_free	—

fit	/app/data/saxs_computation/af/1af0/1af0.fit
pddf	/app/data/pr_computation/af/1af0/1af0.pr.out
profile	/app/data/saxs_computation/af/1af0/1af0.dat

SERRATIA PROTEASE IN COMPLEX WITH INHIBITOR

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction