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1egq

;ENHANCEMENT OF ENZYME ACTIVITY THROUGH THREE-PHASE PARTITIONING: CRYSTAL STRUCTURE OF A MODIFIED SERINE PROTEINASE AT 1.5 A RESOLUTION ;

Method: X-RAY DIFFRACTION D_max: 54.5 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1egq
deposition_date	2000-02-16
title	;ENHANCEMENT OF ENZYME ACTIVITY THROUGH THREE-PHASE PARTITIONING: CRYSTAL STRUCTURE OF A MODIFIED SERINE PROTEINASE AT 1.5 A RESOLUTION ;
keywords	Proteinase K, anhydrous organic solvents, stability, enhanced activity, HYDROLASE; HYDROLASE
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	17.86 Å
rg_electron	16.75 Å
i0	16452500.00
molecular_weight	29092.0 kDa
excluded_volume	35637 Å³
envelope_volume	38409 Å³
shell_volume	18585 Å³
envelope_diameter	55.6 Å
shell_rg	23.57 Å
envelope_rg	17.03 Å
shape_rg	16.77 Å
total_rg	17.60 Å
total_atoms	2039
n_residues	279
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	54.5 Å
rg_real	17.69 Å
rg_real_error	0.23 Å
i0_real	1.6450e+07
i0_real_error	1.8800e+05
rg_reciprocal	17.71 Å
i0_reciprocal	16450000.0000
total_estimate	0.7187
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	23.6 Å
skewness	0.045
kurtosis	-0.497
angular_range	— – 0.4450 Å⁻¹
current_alpha	0.0000
highest_alpha	4663000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.898; Stabil: 1.000; Sysdev: 0.227; Positv: 1.000; Valcen: 0.972; Smooth: 0.990

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEINASE K
formula_weight	28930.8 kDa
ec_number	3.4.21.64
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2282

AAQTNAPWGLARISSTSPGTSTYYYDESAGQGSCVYVIDTGIEASHPEFEGRAQMVKTYYYSSRDGNGHGTHCAGTVGSRTYGVAKKTQLFGVKVLDDNGSGQYSTIIAGMDFVASDKNNRNCPKGVVASLSLGGGYSSSVNSAAARLQSSGVMVAVAAGNNNADARNYSPASEPSVCTVGASDRYDRRSSFSNYGSVLDIFGPGTSILSTWIGGSTRSISGTSMATPHVAGLAAYLMTLGKTTAASACRYIADTANKGDLSNIPFGTVNLLAYNNYQA

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	ACETIC ACID
formula_weight	60.1 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	243

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6. Citations (1)

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length_a	68.290 Å
length_b	68.290 Å
length_c	106.360 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

resolution	1.550 Å
resolution_low	10.000 Å
r_factor	0.1970
r_work	0.1930
r_free	0.2060

fit	/app/data/saxs_computation/eg/1egq/1egq.fit
pddf	/app/data/pr_computation/eg/1egq/1egq.pr.out
profile	/app/data/saxs_computation/eg/1egq/1egq.dat

;ENHANCEMENT OF ENZYME ACTIVITY THROUGH THREE-PHASE PARTITIONING: CRYSTAL STRUCTURE OF A MODIFIED SERINE PROTEINASE AT 1.5 A RESOLUTION ;

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