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1aux

STRUCTURE OF THE C DOMAIN OF SYNAPSIN IA FROM BOVINE BRAIN WITH CALCIUM ATP-GAMMA-S BOUND

Method: X-RAY DIFFRACTION D_max: 96.4 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1aux
deposition_date	1997-09-06
title	STRUCTURE OF THE C DOMAIN OF SYNAPSIN IA FROM BOVINE BRAIN WITH CALCIUM ATP-GAMMA-S BOUND
keywords	SYNAPSE, PHOSPHORYLATION, SYNAPSIN IA C-DOMAIN, ATP-BINDING, TRANSFERASE; TRANSFERASE
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	30.32 Å
rg_electron	29.52 Å
i0	72910600.00
molecular_weight	66962.0 kDa
excluded_volume	83681 Å³
envelope_volume	107880 Å³
shell_volume	30279 Å³
envelope_diameter	104.0 Å
shell_rg	36.92 Å
envelope_rg	29.38 Å
shape_rg	29.51 Å
total_rg	30.25 Å
total_atoms	4698
n_residues	584
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	96.4 Å
rg_real	30.26 Å
rg_real_error	0.70 Å
i0_real	7.2910e+07
i0_real_error	1.2190e+06
rg_reciprocal	30.29 Å
i0_reciprocal	72910000.0000
total_estimate	0.9019
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	27.8 Å
skewness	0.161
kurtosis	-0.716
angular_range	— – 0.2600 Å⁻¹
current_alpha	0.0000
highest_alpha	24180000.0000
n_real_points	53
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.930; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.971; Smooth: 0.960

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	SYNAPSIN IA
formula_weight	34902.0 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4752

GAAARVLLVIDEPHTDWAKYFKGKKIHGEIDIKVEQAEFSDLNLVAHANGGFSVDMEVLRNGVKVVRSLKPDFVLIRQHAFSMARNGDYRSLVIGLQYAGIPSINSLHSVYNFCDKPWVFAQMVRLHKKLGTEEFPLINQTFYPNHKEMLSSTTYPVVVKMGHAHSGMGKVKVDNQHDFQDIASVVALTKTYATTEPFIDAKYDVRIQKIGQNYKAYMRTSVSGNWKTNTGSAMLEQIAMSDRYKLWVDTCSEIFGGLDICAVEALHGKDGRDHIIEVVGSSMPLIGDHQDEDKQLIVELVVNKMAQALPR

Source

organism	Bos taurus
common_name	cattle
ncbi_taxonomy_id	9913
host_organism	Escherichia coli

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
formula_weight	523.2 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	54

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6. Citations (3)

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length_a	76.160 Å
length_b	76.160 Å
length_c	182.330 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 32 2 1
int_tables_number	154
crystal_system	—

resolution	2.300 Å
resolution_low	20.000 Å
r_factor	0.2060
r_work	0.2060
r_free	0.2690

fit	/app/data/saxs_computation/au/1aux/1aux.fit
pddf	/app/data/pr_computation/au/1aux/1aux.pr.out
profile	/app/data/saxs_computation/au/1aux/1aux.dat

STRUCTURE OF THE C DOMAIN OF SYNAPSIN IA FROM BOVINE BRAIN WITH CALCIUM ATP-GAMMA-S BOUND

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