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1evl

CRYSTAL STRUCTURE OF A TRUNCATED FORM OF THREONYL-TRNA SYNTHETASE WITH A THREONYL ADENYLATE ANALOG

Method: X-RAY DIFFRACTION D_max: 139.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1evl
deposition_date	2000-04-20
title	CRYSTAL STRUCTURE OF A TRUNCATED FORM OF THREONYL-TRNA SYNTHETASE WITH A THREONYL ADENYLATE ANALOG
keywords	Amino acid recognition, zinc ion, tRNA-synthetase, adenylate analog, deletion mutant, 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	40.80 Å
rg_electron	40.83 Å
i0	546492000.00
molecular_weight	187930.0 kDa
excluded_volume	233350 Å³
envelope_volume	299230 Å³
shell_volume	60099 Å³
envelope_diameter	147.4 Å
shell_rg	46.77 Å
envelope_rg	40.97 Å
shape_rg	40.81 Å
total_rg	41.18 Å
total_atoms	13186
n_residues	1604
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	139.2 Å
rg_real	40.87 Å
rg_real_error	1.43 Å
i0_real	5.4650e+08
i0_real_error	9.8360e+06
rg_reciprocal	40.80 Å
i0_reciprocal	546400000.0000
total_estimate	0.8689
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	46.4 Å
skewness	0.413
kurtosis	-0.361
angular_range	— – 0.1950 Å⁻¹
current_alpha	0.0000
highest_alpha	68240000.0000
n_real_points	40
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.816; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.952; Smooth: 0.891

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	THREONYL-TRNA SYNTHETASE
formula_weight	46725.2 kDa
ec_number	6.1.1.3
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	14730

RDHRKIGKQLDLYHMQEEAPGMVFWHNDGWTIFRELEVFVRSKLKEYQYQEVKGPFMMDRVLWEKTGHWDNYKDAMFTTSSENREYCIKPMNCPGHVQIFNQGLKSYRDLPLRMAEFGSCHRNEPSGSLHGLMRVRGFTQDDAHIFCTEEQIRDEVNGCIRLVYDMYSTFGFEKIVVKLSTRPEKRIGSDEMWDRAEADLAVALEENNIPFEYQLGEGAFYGPKIEFTLYDCLDRAWQCGTVQLDFSLPSRLSASYVGEDNERKVPVMIHRAILGSMERFIGILTEEFAGFFPTWLAPVQVVIMNITDSQSEYVNELTQKLSNAGIRVKADLRNEKIGFKIREHTLRRVPYMLVCGDKEVESGKVAVRTRRGKDLGSMDVNEVIEKLQQEIRSRSLKQLEE

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	5'-O-(N-(L-THREONYL)-SULFAMOYL)ADENOSINE
formula_weight	447.4 kDa
src_method	syn
entity_count	4

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1544

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6. Citations (2)

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length_a	86.700 Å
length_b	111.100 Å
length_c	135.200 Å
angle_alpha	90.00 °
angle_beta	93.50 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.550 Å
resolution_low	30.000 Å
r_factor	0.2159
r_work	0.2150
r_free	0.2260

fit	/app/data/saxs_computation/ev/1evl/1evl.fit
pddf	/app/data/pr_computation/ev/1evl/1evl.pr.out
profile	/app/data/saxs_computation/ev/1evl/1evl.dat

CRYSTAL STRUCTURE OF A TRUNCATED FORM OF THREONYL-TRNA SYNTHETASE WITH A THREONYL ADENYLATE ANALOG

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