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1bf2

STRUCTURE OF PSEUDOMONAS ISOAMYLASE

Method: X-RAY DIFFRACTION D_max: 94.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bf2
deposition_date	1998-05-26
title	STRUCTURE OF PSEUDOMONAS ISOAMYLASE
keywords	HYDROLASE, GLYCOSIDASE, DEBRANCHING ENZYME; 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	27.88 Å
rg_electron	27.24 Å
i0	112629000.00
molecular_weight	81118.0 kDa
excluded_volume	99856 Å³
envelope_volume	113670 Å³
shell_volume	34846 Å³
envelope_diameter	98.3 Å
shell_rg	34.84 Å
envelope_rg	27.36 Å
shape_rg	27.22 Å
total_rg	27.94 Å
total_atoms	5736
n_residues	750
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	94.8 Å
rg_real	27.91 Å
rg_real_error	0.61 Å
i0_real	1.1260e+08
i0_real_error	1.6720e+06
rg_reciprocal	27.90 Å
i0_reciprocal	112600000.0000
total_estimate	0.8689
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	31.6 Å
skewness	0.446
kurtosis	-0.161
angular_range	— – 0.2850 Å⁻¹
current_alpha	0.0000
highest_alpha	18940000.0000
n_real_points	58
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.777; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.987; Smooth: 0.972

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	ISOAMYLASE
formula_weight	81140.0 kDa
ec_number	3.2.1.68
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	6143

AINSMSLGASYDAQQANITFRVYSSQATRIVLYLYSAGYGVQESATYTLSPAGSGVWAVTVPVSSIKAAGITGAVYYGYRAWGPNWPYASNWGKGSQAGFVSDVDANGDRFNPNKLLLDPYAQEVSQDPLNPSNQNGNVFASGASYRTTDSGIYAPKGVVLVPSTQSTGTKPTRAQKDDVIYEVHVRGFTEQDTSIPAQYRGTYYGAGLKASYLASLGVTAVEFLPVQETQNDANDVVPNSDANQNYWGYMTENYFSPDRRYAYNKAAGGPTAEFQAMVQAFHNAGIKVYMDVVYNHTAEGGTWTSSDPTTATIYSWRGLDNATYYELTSGNQYFYDNTGIGANFNTYNTVAQNLIVDSLAYWANTMGVDGFRFDLASVLGNSCLNGAYTASAPNCPNGGYNFDAADSNVAINRILREFTVRPAAGGSGLDLFAEPWAIGGNSYQLGGFPQGWSEWNGLFRDSLRQAQNELGSMTIYVTQDANDFSGSSNLFQSSGRSPWNSINFIDVHDGMTLKDVYSCNGANNSQAWPYGPSDGGTSTNYSWDQGMSAGTGAAVDQRRAARTGMAFEMLSAGTPLMQGGDEYLRTLQCNNNAYNLDSSANWLTYSWTTDQSNFYTFAQRLIAFRKAHPALRPSSWYSGSQLTWYQPSGAVADSNYWNNTSNYAIAYAINGPSLGDSNSIYVAYNGWSSSVTFTLPAPPSGTQWYRVTDTCDWNDGASTFVAPGSETLIGGAGTTYGQCGQSLLLLISK

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	407

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6. Citations (1)

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length_a	138.900 Å
length_b	152.400 Å
length_c	53.500 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	2.000 Å
resolution_low	10.000 Å
r_factor	0.1610
r_work	0.1610
r_free	0.2140

fit	/app/data/saxs_computation/bf/1bf2/1bf2.fit
pddf	/app/data/pr_computation/bf/1bf2/1bf2.pr.out
profile	/app/data/saxs_computation/bf/1bf2/1bf2.dat

STRUCTURE OF PSEUDOMONAS ISOAMYLASE

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 (3)

Entity 1 polymer

Polymer

Entity 2 non-polymer

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)