← Back to search

1bf6

PHOSPHOTRIESTERASE HOMOLOGY PROTEIN FROM ESCHERICHIA COLI

Method: X-RAY DIFFRACTION D_max: 98.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1bf6
deposition_date	1998-05-27
title	PHOSPHOTRIESTERASE HOMOLOGY PROTEIN FROM ESCHERICHIA COLI
keywords	PHOSPHOTRIESTERASE, HYPOTHETICAL PROTEIN; PHOSPHOTRIESTERASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	30.48 Å
rg_electron	29.84 Å
i0	74843900.00
molecular_weight	66191.0 kDa
excluded_volume	81805 Å³
envelope_volume	96122 Å³
shell_volume	27675 Å³
envelope_diameter	102.5 Å
shell_rg	35.74 Å
envelope_rg	29.85 Å
shape_rg	29.86 Å
total_rg	30.25 Å
total_atoms	4623
n_residues	582
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

▼

3. P(r) Analysis (GNOM)

dmax	98.4 Å
rg_real	30.69 Å
rg_real_error	0.73 Å
i0_real	7.4840e+07
i0_real_error	1.1180e+06
rg_reciprocal	30.61 Å
i0_reciprocal	74840000.0000
total_estimate	0.8222
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.6 Å
skewness	0.401
kurtosis	-0.746
angular_range	— – 0.2600 Å⁻¹
current_alpha	0.0000
highest_alpha	59250000.0000
n_real_points	53
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.687; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.725; Smooth: 0.898

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (6)

Entity 1 polymer

description	PHOSPHOTRIESTERASE HOMOLOGY PROTEIN
formula_weight	32820.2 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4911

SFDPTGYTLAHEHLHIDLSGFKNNVDCRLDQYAFICQEMNDLMTRGVRNVIEMTNRYMGRNAQFMLDVMRETGINVVACTGYYQDAFFPEHVATRSVQELAQEMVDEIEQGIDGTELKAGIIAEIGTSEGKITPLEEKVFIAAALAHNQTGRPISTHTSFSTMGLEQLALLQAHGVDLSRVTVGHCDLKDNLDNILKMIDLGAYVQFDTIGKNSYYPDEKRIAMLHALRDRGLLNRVMLSMDITRRSHLKANGGYGYDYLLTTFIPQLRQSGFSQADVDVMLRENPSQFFQ

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	(4S)-2-METHYL-2,4-PENTANEDIOL
formula_weight	118.2 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	288

▶

6. Citations (2)

▶

length_a	42.070 Å
length_b	80.800 Å
length_c	98.200 Å
angle_alpha	90.00 °
angle_beta	97.10 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.700 Å
resolution_low	50.000 Å
r_factor	0.2040
r_work	0.2040
r_free	0.2410

fit	/app/data/saxs_computation/bf/1bf6/1bf6.fit
pddf	/app/data/pr_computation/bf/1bf6/1bf6.pr.out
profile	/app/data/saxs_computation/bf/1bf6/1bf6.dat