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1ax9

ACETYLCHOLINESTERASE COMPLEXED WITH EDROPHONIUM, LAUE DATA

Method: X-RAY DIFFRACTION D_max: 75.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ax9
deposition_date	1997-11-03
title	ACETYLCHOLINESTERASE COMPLEXED WITH EDROPHONIUM, LAUE DATA
keywords	HYDROLASE, CARBOXYLIC ESTERASE, SERINE ESTERASE, SYNAPSE; 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	23.52 Å
rg_electron	22.30 Å
i0	54668500.00
molecular_weight	58927.0 kDa
excluded_volume	74096 Å³
envelope_volume	81603 Å³
shell_volume	29426 Å³
envelope_diameter	80.5 Å
shell_rg	30.35 Å
envelope_rg	22.57 Å
shape_rg	22.25 Å
total_rg	23.32 Å
total_atoms	4164
n_residues	527
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	75.2 Å
rg_real	23.37 Å
rg_real_error	0.46 Å
i0_real	5.4670e+07
i0_real_error	6.8490e+05
rg_reciprocal	23.40 Å
i0_reciprocal	54670000.0000
total_estimate	0.8114
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	30.1 Å
skewness	0.151
kurtosis	-0.389
angular_range	— – 0.3400 Å⁻¹
current_alpha	0.0000
highest_alpha	15060000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.852; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	ACETYLCHOLINESTERASE
formula_weight	60736.5 kDa
ec_number	3.1.1.7
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4308

DDHSELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHGSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNVICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYTAEEEALSRRIMHYWATFAKTGNPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQMCVFWNQFLPKLLNATAC

Entity 2 non-polymer

description	EDROPHONIUM ION
formula_weight	166.2 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	144

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6. Citations (4)

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length_a	113.000 Å
length_b	113.000 Å
length_c	136.900 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 31 2 1
int_tables_number	152
crystal_system	—

resolution	2.800 Å
resolution_low	20.000 Å
r_factor	0.2070
r_work	—
r_free	0.2680

fit	/app/data/saxs_computation/ax/1ax9/1ax9.fit
pddf	/app/data/pr_computation/ax/1ax9/1ax9.pr.out
profile	/app/data/saxs_computation/ax/1ax9/1ax9.dat

ACETYLCHOLINESTERASE COMPLEXED WITH EDROPHONIUM, LAUE DATA

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 (4)

7. Files & Curves (10)

Files (7)

Curves (3)