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1b8a

ASPARTYL-TRNA SYNTHETASE

Method: X-RAY DIFFRACTION D_max: 101.5 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b8a
deposition_date	1999-01-27
title	ASPARTYL-TRNA SYNTHETASE
keywords	SYNTHETASE, TRNA LIGASE, LIGASE; LIGASE
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	29.85 Å
rg_electron	29.37 Å
i0	161529000.00
molecular_weight	103130.0 kDa
excluded_volume	129720 Å³
envelope_volume	153640 Å³
shell_volume	42571 Å³
envelope_diameter	109.0 Å
shell_rg	37.53 Å
envelope_rg	29.86 Å
shape_rg	29.36 Å
total_rg	30.10 Å
total_atoms	7256
n_residues	876
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	101.5 Å
rg_real	29.78 Å
rg_real_error	0.73 Å
i0_real	1.6150e+08
i0_real_error	2.4420e+06
rg_reciprocal	29.81 Å
i0_reciprocal	161500000.0000
total_estimate	0.6580
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	36.4 Å
skewness	0.304
kurtosis	-0.297
angular_range	— – 0.2650 Å⁻¹
current_alpha	0.0000
highest_alpha	45050000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.806; Stabil: 1.000; Sysdev: 0.050; Positv: 1.000; Valcen: 0.999; Smooth: 0.981

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (ASPARTYL-TRNA SYNTHETASE)
formula_weight	50980.4 kDa
ec_number	6.1.1.12
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	8486

MYRTHYSSEITEELNGQKVKVAGWVWEVKDLGGIKFLWIRDRDGIVQITAPKKKVDPELFKLIPKLRSEDVVAVEGVVNFTPKAKLGFEILPEKIVVLNRAETPLPLDPTGKVKAELDTRLNNRFMDLRRPEVMAIFKIRSSVFKAVRDFFHENGFIEIHTPKIIATATEGGTELFPMKYFEEDAFLAESPQLYKEIMMASGLDRVYEIAPIFRAEEHNTTRHLNEAWSIDSEMAFIEDEEEVMSFLERLVAHAINYVREHNAKELDILNFELEEPKLPFPRVSYDKALEILGDLGKEIPWGEDIDTEGERLLGKYMMENENAPLYFLYQYPSEAKPFYIMKYDNKPEICRAFDLEYRGVEISSGGQREHRHDILVEQIKEKGLNPESFEFYLKAFRYGMPPHGGFGLGAERLIKQMLDLPNIREVILFPRDRRRLTP

Source

organism	Thermococcus kodakarensis
ncbi_taxonomy_id	69014
host_organism	Escherichia coli

Entity 2 non-polymer

description	MANGANESE (II) ION
formula_weight	54.9 kDa
src_method	syn
entity_count	6

Entity 3 non-polymer

description	ADENOSINE-5'-TRIPHOSPHATE
formula_weight	507.2 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1230

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6. Citations (1)

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length_a	124.800 Å
length_b	125.000 Å
length_c	87.160 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	1.900 Å
resolution_low	15.000 Å
r_factor	—
r_work	0.1680
r_free	0.2020

fit	/app/data/saxs_computation/b8/1b8a/1b8a.fit
pddf	/app/data/pr_computation/b8/1b8a/1b8a.pr.out
profile	/app/data/saxs_computation/b8/1b8a/1b8a.dat

ASPARTYL-TRNA SYNTHETASE

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