SAXSdb — 1e2n

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1. Structure Basics

entry_id	1e2n
deposition_date	2000-05-23
title	HPT + HMTT
keywords	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	25.61 Å
rg_electron	24.08 Å
i0	74947900.00
molecular_weight	67976.0 kDa
excluded_volume	85322 Å³
envelope_volume	98629 Å³
shell_volume	32838 Å³
envelope_diameter	79.7 Å
shell_rg	32.36 Å
envelope_rg	24.30 Å
shape_rg	24.07 Å
total_rg	25.01 Å
total_atoms	4771
n_residues	619
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	79.4 Å
rg_real	25.46 Å
rg_real_error	0.40 Å
i0_real	7.4950e+07
i0_real_error	9.8980e+05
rg_reciprocal	25.50 Å
i0_reciprocal	74950000.0000
total_estimate	0.7412
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	78.1 Å
skewness	0.153
kurtosis	-0.417
angular_range	— – 0.3100 Å⁻¹
current_alpha	0.0000
highest_alpha	12090000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.907; Stabil: 1.000; Sysdev: 0.315; Positv: 1.000; Valcen: 0.981; Smooth: 0.985

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	THYMIDINE KINASE
formula_weight	35779.1 kDa
ec_number	2.7.1.21
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4931

MPTLLRVYIDGPHGMGKTTTTQLLVALGSRDDIVYVPEPMTYWRVLGASETIANIYTTQHRLDQGEISAGDAAVVMTSAQITMGMPYAVTDAVLAPHIGGEAGSSHAPPPALTLIFDRHPIAALLCYPAARYLMGSMTPQAVLAFVALIPPTLPGTNIVLGALPEDRHIDRLAKRQRPGERLDLAMLAAIRRVYGLLANTVRYLQCGGSWREDWGQLSGTAVPPQGAEPQSNAGPRPHIGDTLFTLFRAPELLAPNGDLYNVFAWALDVLAKRLRSMHVFILDYDQSPAGCRDALLQLTSGMVQTHVTTPGSIPTICDLARTFAREMGEAN

Source

organism	HERPES SIMPLEX VIRUS (TYPE 1 / STRAIN 17)
ncbi_taxonomy_id	10299
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	6-{[4-(HYDROXYMETHYL)-5-METHYL-2,6-DIOXOHEXAHYDROPYRIMIDIN-5-YL]METHYL}-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE
formula_weight	296.3 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	160

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6. Citations (3)

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length_a	113.600 Å
length_b	118.800 Å
length_c	108.500 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	2.200 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.2080
r_free	0.2640

fit	/app/data/saxs_computation/e2/1e2n/1e2n.fit
pddf	/app/data/pr_computation/e2/1e2n/1e2n.pr.out
profile	/app/data/saxs_computation/e2/1e2n/1e2n.dat

HPT + HMTT

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