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1ewq

CRYSTAL STRUCTURE TAQ MUTS COMPLEXED WITH A HETERODUPLEX DNA AT 2.2 A RESOLUTION

Method: X-RAY DIFFRACTION D_max: 131.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ewq
deposition_date	2000-04-26
title	CRYSTAL STRUCTURE TAQ MUTS COMPLEXED WITH A HETERODUPLEX DNA AT 2.2 A RESOLUTION
keywords	;Multiple domains of protein, mostly mixed alpha-beta structures, one domain is entirely helical, double stranded helix, replication-DNA COMPLEX ;; replication/DNA
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	40.18 Å
i0	560063000.00
molecular_weight	185090.0 kDa
excluded_volume	227900 Å³
envelope_volume	320130 Å³
shell_volume	64916 Å³
envelope_diameter	132.9 Å
shell_rg	47.49 Å
envelope_rg	38.87 Å
shape_rg	40.18 Å
total_rg	40.54 Å
total_atoms	12910
n_residues	1527
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	131.1 Å
rg_real	40.89 Å
rg_real_error	1.08 Å
i0_real	5.6010e+08
i0_real_error	9.5950e+06
rg_reciprocal	41.02 Å
i0_reciprocal	560100000.0000
total_estimate	0.8307
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	50.4 Å
skewness	0.168
kurtosis	-0.529
angular_range	— – 0.1950 Å⁻¹
current_alpha	0.0000
highest_alpha	44460000.0000
n_real_points	40
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.932; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	;DNA (5'-D(GPCPGPAPCPGPCPTPAPGPCPGPTPGPCPGPGPCPTPCPGPTP*C)-3') ;
formula_weight	7074.5 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	C
atom_count	13724

GCGACGCTAGCGTGCGGCTCGTC

Entity 2 polymer

description	;DNA (5'-D(GPGPAPCPGPAPGPCPCPGPCPCPGPCPTPAPGPCPGPTPCPG)-3') ;
formula_weight	6779.4 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	D

GGACGAGCCGCCGCTAGCGTCG

Entity 3 polymer

description	DNA MISMATCH REPAIR PROTEIN MUTS
formula_weight	86386.1 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B

MEGMLKGEGPGPLPPLLQQYVELRDQYPDYLLLFQVGDFYECFGEDAERLARALGLVLTHKTSKDFTTPMAGIPLRAFEAYAERLLKMGFRLAVADQVEPAEEAEGLVRREVTQLLTPGTLLQESLLPREANYLAAIATGDGWGLAFLDVSTGEFKGTVLKSKSALYDELFRHRPAEVLLAPELLENGAFLDEFRKRFPVMLSEAPFEPEGEGPLALRRARGALLAYAQRTQGGALSLQPFRFYDPGAFMRLPEATLRALEVFEPLRGQDTLFSVLDETRTAPGRRLLQSWLRHPLLDRGPLEARLDRVEGFVREGALREGVRRLLYRLADLERLATRLELGRASPKDLGALRRSLQILPELRALLGEEVGLPDLSPLKEELEAALVEDPPLKVSEGGLIREGYDPDLDALRAAHREGVAYFLELEERERERTGIPTLKVGYNAVFGYYLEVTRPYYERVPKEYRPVQTLKDRQRYTLPEMKEKEREVYRLEALIRRREEEVFLEVRERAKRQAEALREAARILAELDVYAALAEVAVRYGYVRPRFGDRLQIRAGRHPVVERRTEFVPNDLEMAHELVLITGPNMAGKSTFLRQTALIALLAQVGSFVPAEEAHLPLFDGIYTRIGASDDLAGGKSTFMVEMEEVALILKEATENSLVLLDEVGRGTSSLDGVAIATAVAEALHERRAYTLFATHYFELTALGLPRLKNLHVAAREEAGGLVFYHQVLPGPASKSYGVEVAAMAGLPKEVVARARALLQAMAAR

Source

organism	Thermus aquaticus
ncbi_taxonomy_id	271
host_organism	Escherichia coli

Entity 4 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	4

Entity 5 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	7

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	814

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6. Citations (1)

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length_a	103.167 Å
length_b	114.216 Å
length_c	160.792 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.200 Å
resolution_low	26.600 Å
r_factor	0.2270
r_work	0.2270
r_free	0.2590

fit	/app/data/saxs_computation/ew/1ewq/1ewq.fit
pddf	/app/data/pr_computation/ew/1ewq/1ewq.pr.out
profile	/app/data/saxs_computation/ew/1ewq/1ewq.dat

CRYSTAL STRUCTURE TAQ MUTS COMPLEXED WITH A HETERODUPLEX DNA AT 2.2 A RESOLUTION

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

5. Entities & Polymer Info (6)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 polymer

Polymer

Source

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)