;CRYSTAL STRUCTURE OF A NOVEL GERMINATION PROTEASE FROM SPORES OF BACILLUS MEGATERIUM: STRUCTURAL REARRANGEMENTS AND ZYMOGEN ACTIVATION ;

Method: X-RAY DIFFRACTION D_max: 89.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1c8b
deposition_date	2000-05-03
title	;CRYSTAL STRUCTURE OF A NOVEL GERMINATION PROTEASE FROM SPORES OF BACILLUS MEGATERIUM: STRUCTURAL REARRANGEMENTS AND ZYMOGEN ACTIVATION ;
keywords	NOVEL FOLD, 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	28.26 Å
rg_electron	27.20 Å
i0	66435500.00
molecular_weight	61441.0 kDa
excluded_volume	76187 Å³
envelope_volume	104580 Å³
shell_volume	32169 Å³
envelope_diameter	91.9 Å
shell_rg	34.25 Å
envelope_rg	27.25 Å
shape_rg	27.27 Å
total_rg	27.77 Å
total_atoms	4328
n_residues	640
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	89.0 Å
rg_real	28.22 Å
rg_real_error	0.54 Å
i0_real	6.6440e+07
i0_real_error	9.1410e+05
rg_reciprocal	28.23 Å
i0_reciprocal	66440000.0000
total_estimate	0.9044
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	30.2 Å
skewness	0.284
kurtosis	-0.533
angular_range	— – 0.2800 Å⁻¹
current_alpha	0.0000
highest_alpha	19970000.0000
n_real_points	57
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.934; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.955

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (1)

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length_a	77.410 Å
length_b	77.410 Å
length_c	313.740 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

resolution	3.000 Å
resolution_low	15.000 Å
r_factor	—
r_work	0.3080
r_free	0.3300

description	SPORE PROTEASE
formula_weight	40673.3 kDa
ec_number	3.4.99.-
src_method	man
entity_count	2

type	polypeptide(L)
strand_id	A,B
atom_count	4454

;CRYSTAL STRUCTURE OF A NOVEL GERMINATION PROTEASE FROM SPORES OF BACILLUS MEGATERIUM: STRUCTURAL REARRANGEMENTS AND ZYMOGEN ACTIVATION ;

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

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Bacillus megaterium
ncbi_taxonomy_id	1404
host_organism	Escherichia coli

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	126

fit	/app/data/saxs_computation/c8/1c8b/1c8b.fit
pddf	/app/data/pr_computation/c8/1c8b/1c8b.pr.out
profile	/app/data/saxs_computation/c8/1c8b/1c8b.dat