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1b76

GLYCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH ATP

Method: X-RAY DIFFRACTION D_max: 90.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b76
deposition_date	1999-01-27
title	GLYCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH ATP
keywords	AMINOACYL-TRNA SYNTHASE, LIGASE(SYNTHETASE), 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	29.10 Å
rg_electron	27.96 Å
i0	170990000.00
molecular_weight	102950.0 kDa
excluded_volume	128460 Å³
envelope_volume	151270 Å³
shell_volume	43110 Å³
envelope_diameter	96.6 Å
shell_rg	36.84 Å
envelope_rg	28.35 Å
shape_rg	27.96 Å
total_rg	28.77 Å
total_atoms	8959
n_residues	884
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	90.9 Å
rg_real	28.94 Å
rg_real_error	0.45 Å
i0_real	1.7100e+08
i0_real_error	2.2740e+06
rg_reciprocal	29.01 Å
i0_reciprocal	171000000.0000
total_estimate	0.8954
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	38.7 Å
skewness	0.165
kurtosis	-0.386
angular_range	— – 0.2700 Å⁻¹
current_alpha	0.0000
highest_alpha	50760000.0000
n_real_points	55
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.894; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.978; Smooth: 0.975

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Glycine--tRNA ligase
formula_weight	51144.9 kDa
ec_number	6.1.1.14
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	8961

AASSLDELVALCKRRGFIFQSSEIYGGLQGVYDYGPLGVELKNNLKQAWWRRNVYERDDMEGLDASVLTHRLVLHYSGHEATFADPMVDNAKARYWTPPRYFNMMFQDLRGPRGGRGLLAYLRPETAQGIFVNFKNVLDATSRKLGFGIAQIGKAFRNEITPRNFIFRVREFEQMEIEYFVRPGEDEYWHRYWVEERLKWWQEMGLSRENLVPYQQPPESSAHYAKATVDILYRFPHGSLELEGIAQRTDFDLGSHTKDQEALGITARVLRNEHSTQRLAYRDPETGKWFVPYVIEPSAGVDRGVLALLAEAFTREELPNGEERIVLKLKPQLAPIKVAVIPLVKNRPEITEYAKRLKARLLALGLGRVLYEDTGNIGKAYRRHDEVGTPFAVTVDYDTIGQSKDGTTRLKDTVTVRDRDTMEQIRLHVDELEGFLRERLRW

Source

organism	Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)
ncbi_taxonomy_id	300852
host_organism	Escherichia coli

Entity 2 non-polymer

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

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	2

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6. Citations (3)

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length_a	124.800 Å
length_b	250.900 Å
length_c	105.700 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	3.400 Å
resolution_low	9.000 Å
r_factor	—
r_work	0.2270
r_free	0.3180

fit	/app/data/saxs_computation/b7/1b76/1b76.fit
pddf	/app/data/pr_computation/b7/1b76/1b76.pr.out
profile	/app/data/saxs_computation/b7/1b76/1b76.dat

GLYCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH ATP

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