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1amu

PHENYLALANINE ACTIVATING DOMAIN OF GRAMICIDIN SYNTHETASE 1 IN A COMPLEX WITH AMP AND PHENYLALANINE

Method: X-RAY DIFFRACTION D_max: 141.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1amu
deposition_date	1997-06-18
title	PHENYLALANINE ACTIVATING DOMAIN OF GRAMICIDIN SYNTHETASE 1 IN A COMPLEX WITH AMP AND PHENYLALANINE
keywords	PEPTIDE SYNTHETASE, GRSA, ADENYLATE FORMING; PEPTIDE SYNTHETASE
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	39.18 Å
rg_electron	39.62 Å
i0	183936000.00
molecular_weight	113050.0 kDa
excluded_volume	142550 Å³
envelope_volume	184110 Å³
shell_volume	41002 Å³
envelope_diameter	149.8 Å
shell_rg	41.69 Å
envelope_rg	40.41 Å
shape_rg	39.65 Å
total_rg	39.60 Å
total_atoms	7979
n_residues	1017
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	141.1 Å
rg_real	39.85 Å
rg_real_error	1.55 Å
i0_real	1.8390e+08
i0_real_error	3.1370e+06
rg_reciprocal	39.44 Å
i0_reciprocal	183900000.0000
total_estimate	0.7526
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	31.8 Å
skewness	0.630
kurtosis	-0.268
angular_range	— – 0.2000 Å⁻¹
current_alpha	0.0000
highest_alpha	47890000.0000
n_real_points	41
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.498; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.500; Smooth: 0.786

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	GRAMICIDIN SYNTHETASE 1
formula_weight	64131.8 kDa
ec_number	5.1.1.11
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	8548

MVNSSKSILIHAQNKNGTHEEEQYLFAVNNTKAEYPRDKTIHQLFEEQVSKRPNNVAIVCENEQLTYHELNVKANQLARIFIEKGIGKDTLVGIMMEKSIDLFIGILAVLKAGGAYVPIDIEYPKERIQYILDDSQARMLLTQKHLVHLIHNIQFNGQVEIFEEDTIKIREGTNLHVPSKSTDLAYVIYTSGTTGNPKGTMLEHKGISNLKVFFENSLNVTEKDRIGQFASISFDASVWEMFMALLTGASLYIILKDTINDFVKFEQYINQKEITVITLPPTYVVHLDPERILSIQTLITAGSATSPSLVNKWKEKVTYINAYGPTETTICATTWVATKETIGHSVPIGAPIQNTQIYIVDENLQLKSVGEAGELCIGGEGLARGYWKRPELTSQKFVDNPFVPGEKLYKTGDQARWLSDGNIEYLGRIDNQVKIRGHRVELEEVESILLKHMYISETAVSVHKDHQEQPYLCAYFVSEKHIPLEQLRQFSSEELPTYMIPSYFIQLDKMPLTSNGKIDRKQLPEPDLTFGMRVDYEAPRNEIEETLVTIWQDVLGSHHHHHH

Source

organism	Brevibacillus brevis
ncbi_taxonomy_id	1393
host_organism	Escherichia coli

Entity 2 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	PHENYLALANINE
formula_weight	165.2 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	ADENOSINE MONOPHOSPHATE
formula_weight	347.2 kDa
src_method	syn
entity_count	2

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	569

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6. Citations (2)

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length_a	61.680 Å
length_b	154.770 Å
length_c	65.300 Å
angle_alpha	90.00 °
angle_beta	93.91 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.900 Å
resolution_low	20.000 Å
r_factor	0.2130
r_work	0.2130
r_free	0.2460

fit	/app/data/saxs_computation/am/1amu/1amu.fit
pddf	/app/data/pr_computation/am/1amu/1amu.pr.out
profile	/app/data/saxs_computation/am/1amu/1amu.dat