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1a55

PHOSPHATE-BINDING PROTEIN MUTANT A197C

Method: X-RAY DIFFRACTION D_max: 81.8 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a55
deposition_date	1998-02-19
title	PHOSPHATE-BINDING PROTEIN MUTANT A197C
keywords	PHOSPHOTRANSFERASE, TRANSPORT; PHOSPHOTRANSFERASE
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	21.05 Å
rg_electron	20.17 Å
i0	19940200.00
molecular_weight	34509.0 kDa
excluded_volume	43431 Å³
envelope_volume	49963 Å³
shell_volume	20890 Å³
envelope_diameter	75.0 Å
shell_rg	26.51 Å
envelope_rg	20.54 Å
shape_rg	20.12 Å
total_rg	21.18 Å
total_atoms	2441
n_residues	321
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	81.8 Å
rg_real	21.05 Å
rg_real_error	0.81 Å
i0_real	1.9940e+07
i0_real_error	2.9670e+05
rg_reciprocal	21.05 Å
i0_reciprocal	19940000.0000
total_estimate	0.7043
solution_quality	REASONABLE a REASONABLE solution
n_peaks	3
r_peak_primary	24.9 Å
skewness	0.434
kurtosis	-0.074
angular_range	— – 0.3800 Å⁻¹
current_alpha	0.0000
highest_alpha	5498000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.430; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.863; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PHOSPHATE-BINDING PROTEIN
formula_weight	34489.7 kDa
mutation	A197C
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2717

EASLTGAGATFPAPVYAKWADTYQKETGNKVNYQGIGSSGGVKQIIANTVDFGASDAPLSDEKLAQEGLFQFPTVIGGVVLAVNIPGLKSGELVLDGKTLGDIYLGKIKKWDDEAIAKLNPGLKLPSQNIAVVRRADGSGTSFVFTSYLAKVNEEWKNNVGTGSTVKWPIGLGGKGNDGIAAFVQRLPGAIGYVEYCYAKQNNLAYTKLISADGKPVSPTEENFANAAKGADWSKTFAQDLTNQKGEDAWPITSTTFILIHKDQKKPEQGTEVLKFFDWAYKTGAKQANDLDYASLPDSVVEQVRAAWKTNIKDSSGKPLY

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	DIHYDROGENPHOSPHATE ION
formula_weight	97.0 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	268

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6. Citations (2)

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length_a	42.040 Å
length_b	64.161 Å
length_c	124.353 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	2.400 Å
resolution_low	12.000 Å
r_factor	—
r_work	0.1730
r_free	0.2270

fit	/app/data/saxs_computation/a5/1a55/1a55.fit
pddf	/app/data/pr_computation/a5/1a55/1a55.pr.out
profile	/app/data/saxs_computation/a5/1a55/1a55.dat

PHOSPHATE-BINDING PROTEIN MUTANT A197C

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