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1adj

HISTIDYL-TRNA SYNTHETASE IN COMPLEX WITH HISTIDINE

Method: X-RAY DIFFRACTION D_max: 133.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1adj
deposition_date	1997-02-18
title	HISTIDYL-TRNA SYNTHETASE IN COMPLEX WITH HISTIDINE
keywords	AMINO ACID, HISTIDINE, COMPLEX (TRNA SYNTHETASE-PEPTIDE), COMPLEX (TRNA SYNTHETASE-PEPTIDE) complex; COMPLEX (TRNA SYNTHETASE/PEPTIDE)
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	41.02 Å
rg_electron	40.98 Å
i0	531841000.00
molecular_weight	188680.0 kDa
excluded_volume	236410 Å³
envelope_volume	311440 Å³
shell_volume	63144 Å³
envelope_diameter	140.4 Å
shell_rg	46.45 Å
envelope_rg	40.62 Å
shape_rg	40.98 Å
total_rg	41.26 Å
total_atoms	13300
n_residues	1680
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	133.7 Å
rg_real	41.02 Å
rg_real_error	1.12 Å
i0_real	5.3180e+08
i0_real_error	9.1220e+06
rg_reciprocal	41.02 Å
i0_reciprocal	531800000.0000
total_estimate	0.8841
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	48.0 Å
skewness	0.333
kurtosis	-0.359
angular_range	— – 0.1950 Å⁻¹
current_alpha	0.0000
highest_alpha	129300000.0000
n_real_points	40
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.910; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.768

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	HISTIDYL-TRNA SYNTHETASE
formula_weight	47125.9 kDa
ec_number	6.1.1.21
src_method	nat
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	13538

MTARAVRGTKDLFGKELRMHQRIVATARKVLEAAGALELVTPIFEETQVFEKGVGAATDIVRKEMFTFQDRGGRSLTLRPEGTAAMVRAYLEHGMKVWPQPVRLWMAGPMFRAERPQKGRYRQFHQVNYEALGSENPILDAEAVVLLYECLKELGLRRLKVKLSSVGDPEDRARYNAYLREVLSPHREALSEDSKERLEENPMRILDSKSERDQALLKELGVRPMLDFLGEEARAHLKEVERHLERLSVPYELEPALVRGLDYYVRTAFEVHHEEIGAQSALGGGGRYDGLSELLGGPRVPGVGFAFGVERVALALEAEGFGLPEEKGPDLYLIPLTEEAVAEAFYLAEALRPRLRAEYALAPRKPAKGLEEALKRGAAFAGFLGEDELRAGEVTLKRLATGEQVRLSREEVPGYLLQALG

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	HISTIDINE
formula_weight	156.2 kDa
src_method	syn
entity_count	4

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	238

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6. Citations (1)

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length_a	171.300 Å
length_b	214.700 Å
length_c	49.300 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	2.700 Å
resolution_low	20.000 Å
r_factor	0.2170
r_work	0.2170
r_free	0.2770

fit	/app/data/saxs_computation/ad/1adj/1adj.fit
pddf	/app/data/pr_computation/ad/1adj/1adj.pr.out
profile	/app/data/saxs_computation/ad/1adj/1adj.dat

HISTIDYL-TRNA SYNTHETASE IN COMPLEX WITH HISTIDINE

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