← Back to search

1e3m

The crystal structure of E. coli MutS binding to DNA with a G:T mismatch

Method: X-RAY DIFFRACTION D_max: 128.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1e3m
deposition_date	2000-06-19
title	The crystal structure of E. coli MutS binding to DNA with a G:T mismatch
keywords	DNA BINDING, MISMATCH RECOGNITION; DNA BINDING
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	40.83 Å
rg_electron	40.23 Å
i0	584890000.00
molecular_weight	186550.0 kDa
excluded_volume	228190 Å³
envelope_volume	322090 Å³
shell_volume	65027 Å³
envelope_diameter	129.7 Å
shell_rg	47.84 Å
envelope_rg	39.04 Å
shape_rg	40.26 Å
total_rg	40.52 Å
total_atoms	12914
n_residues	1532
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

▼

3. P(r) Analysis (GNOM)

dmax	128.0 Å
rg_real	40.68 Å
rg_real_error	0.88 Å
i0_real	5.8490e+08
i0_real_error	9.4000e+06
rg_reciprocal	40.83 Å
i0_reciprocal	585000000.0000
total_estimate	0.8961
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	52.5 Å
skewness	0.138
kurtosis	-0.533
angular_range	— – 0.1950 Å⁻¹
current_alpha	0.0000
highest_alpha	43530000.0000
n_real_points	40
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.947; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.807

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (6)

Entity 1 polymer

description	DNA MISMATCH REPAIR PROTEIN MUTS
formula_weight	90729.9 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	13392

MSAIENFDAHTPMMQQYLRLKAQHPEILLFYRMGDFYELFYDDAKRASQLLDISLTKRGASAGEPIPMAGIPYHAVENYLAKLVNQGESVAICEQIGDPATSKGPVERKVVRIVTPGTISDEALLQERQDNLLAAIWQDSKGFGYATLDISSGRFRLSEPADRETMAAELQRTNPAELLYAEDFAEMSLIEGRRGLRRRPLWEFEIDTARQQLNLQFGTRDLVGFGVENAPRGLCAAGCLLQYAKDTQRTTLPHIRSITMEREQDSIIMDAATRRNLEITQNLAGGAENTLASVLDCTVTPMGSRMLKRWLHMPVRDTRVLLERQQTIGALQDFTAGLQPVLRQVGDLERILARLALRTARPRDLARMRHAFQQLPELRAQLETVDSAPVQALREKMGEFAELRDLLERAIIDTPPVLVRDGGVIASGYNEELDEWRALADGATDYLERLEVRERERTGLDTLKVGFNAVHGYYIQISRGQSHLAPINYMRRQTLKNAERYIIPELKEYEDKVLTSKGKALALEKQLYEELFDLLLPHLEALQQSASALAELDVLVNLAERAYTLNYTCPTFIDKPGIRITEGRHPVVEQVLNEPFIANPLNLSPQRRMLIITGPNMGGKSTYMRQTALIALMAYIGSYVPAQKVEIGPIDRIFTRVGAADDLASGRSTFMVEMTETANILHNATEYSLVLMDEIGRGTSTYDGLSLAWACAENLANKIKALTLFATHYFELTQLPEKMEGVANVHLDALEHGDTIAFMHSVQDGAASKSYGLAVAALAGVPKEVIKRARQKLRELESIS

Source

organism	ESCHERICHIA COLI
ncbi_taxonomy_id	562
host_organism	ESCHERICHIA COLI

Entity 2 polymer

description	;5'-D(APGPCPTPGPCPCPAPGPGPCPAPCPCPAP GPTPGPTPCPAPGPCPGPTPCPCPTPAPT)-3' ;
formula_weight	9184.9 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	E

AGCTGCCAGGCACCAGTGTCAGCGTCCTAT

Entity 3 polymer

description	;5'-D(APTPAPGPGPAPCPGPCPTPGPAPCPAPCP TPGPGPTPGPCPTPTPGPGPCPAPGPCPT)-3' ;
formula_weight	9280.0 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	F

ATAGGACGCTGACACTGGTGCTTGGCAGCT

Entity 4 non-polymer

description	ADENOSINE-5'-DIPHOSPHATE
formula_weight	427.2 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	2

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	478

▶

6. Citations (1)

▶

length_a	89.960 Å
length_b	92.370 Å
length_c	261.330 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	20.000 Å
r_factor	0.2290
r_work	0.2280
r_free	0.2660

fit	/app/data/saxs_computation/e3/1e3m/1e3m.fit
pddf	/app/data/pr_computation/e3/1e3m/1e3m.pr.out
profile	/app/data/saxs_computation/e3/1e3m/1e3m.dat

The crystal structure of E. coli MutS binding to DNA with a G:T mismatch

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

Source

Entity 2 polymer

Polymer

Entity 3 polymer

Polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)