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1ea6

N-terminal 40kDa fragment of NhPMS2 complexed with ADP

Method: X-RAY DIFFRACTION D_max: 105.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ea6
deposition_date	2001-07-10
title	N-terminal 40kDa fragment of NhPMS2 complexed with ADP
keywords	DNA REPAIR, GHL ATPASE, HNPCC, MISMATCH REPAIR; DNA REPAIR
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	28.86 Å
rg_electron	28.36 Å
i0	78319700.00
molecular_weight	68106.0 kDa
excluded_volume	84817 Å³
envelope_volume	108210 Å³
shell_volume	32844 Å³
envelope_diameter	111.6 Å
shell_rg	34.49 Å
envelope_rg	28.60 Å
shape_rg	28.35 Å
total_rg	29.00 Å
total_atoms	4764
n_residues	609
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	105.0 Å
rg_real	28.92 Å
rg_real_error	1.01 Å
i0_real	7.8320e+07
i0_real_error	1.3240e+06
rg_reciprocal	28.89 Å
i0_reciprocal	78320000.0000
total_estimate	0.8359
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	36.3 Å
skewness	0.491
kurtosis	0.198
angular_range	— – 0.2750 Å⁻¹
current_alpha	0.0000
highest_alpha	18210000.0000
n_real_points	56
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.669; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.875; Smooth: 0.979

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PMS1 PROTEIN HOMOLOG 2
formula_weight	40426.2 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4814

MERAESSSTEPAKAIKPIDRKSVHQICSGQVVLSLSTAVKELVENSLDAGATNIDLKLKDYGVDLIEVSDNGCGVEEENFEGLTLKHHTSKIQEFADLTQVETFGFRGEALSSLCALSDVTISTCHASAKVGTRLMFDHNGKIIQKTPYPRPRGTTVSVQQLFSTLPVRHKEFQRNIKKEYAKMVQVLHAYCIISAGIRVSCTNQLGQGKRQPVVCTGGSPSIKENIGSVFGQKQLQSLIPFVQLPPSDSVCEEYGLSCSDALHNLFYISGFISQCTHGVGRSSTDRQFFFINRRPCDPAKVCRLVNEVYHMYNRHQYPFVVLNISVDSECVDINVTPDKRQILLQEEKLLLAVLKTSLIGMFD

Source

organism	HOMO SAPIENS
common_name	HUMAN
ncbi_taxonomy_id	9606
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	ADENOSINE-5'-DIPHOSPHATE
formula_weight	427.2 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	50

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6. Citations (1)

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length_a	75.043 Å
length_b	74.983 Å
length_c	135.294 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	2.700 Å
resolution_low	24.690 Å
r_factor	0.2300
r_work	0.2300
r_free	0.2620

fit	/app/data/saxs_computation/ea/1ea6/1ea6.fit
pddf	/app/data/pr_computation/ea/1ea6/1ea6.pr.out
profile	/app/data/saxs_computation/ea/1ea6/1ea6.dat

N-terminal 40kDa fragment of NhPMS2 complexed with ADP

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