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1dru

ESCHERICHIA COLI DHPR/NADH COMPLEX

Method: X-RAY DIFFRACTION D_max: 72.1 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dru
deposition_date	1996-06-28
title	ESCHERICHIA COLI DHPR/NADH COMPLEX
keywords	OXIDOREDUCTASE; OXIDOREDUCTASE
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	21.27 Å
rg_electron	20.34 Å
i0	15902200.00
molecular_weight	28775.0 kDa
excluded_volume	35493 Å³
envelope_volume	42944 Å³
shell_volume	18350 Å³
envelope_diameter	72.4 Å
shell_rg	26.08 Å
envelope_rg	20.61 Å
shape_rg	20.36 Å
total_rg	21.05 Å
total_atoms	2018
n_residues	270
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	72.1 Å
rg_real	21.32 Å
rg_real_error	0.51 Å
i0_real	1.5900e+07
i0_real_error	2.0920e+05
rg_reciprocal	21.31 Å
i0_reciprocal	15900000.0000
total_estimate	0.7213
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	23.3 Å
skewness	0.441
kurtosis	-0.224
angular_range	— – 0.3750 Å⁻¹
current_alpha	0.0000
highest_alpha	2818000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.803; Stabil: 1.000; Sysdev: 0.368; Positv: 1.000; Valcen: 0.946; Smooth: 0.915

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	DIHYDRODIPICOLINATE REDUCTASE
formula_weight	28793.6 kDa
ec_number	1.3.1.26
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2081

MHDANIRVAIAGAGGRMGRQLIQAALALEGVQLGAALEREGSSLLGSDAGELAGAGKTGVTVQSSLDAVKDDFDVFIDFTRPEGTLNHLAFCRQHGKGMVIGTTGFDEAGKQAIRDAAADIAIVFAANFSVGVNVMLKLLEKAAKVMGDYTDIEIIEAHHRHKVDAPSGTALAMGEAIAHALDKDLKDCAVYSREGHTGERVPGTIGFATVRAGDIVGEHTAMFADIGERLEITHKASSRMTFANGAVRSALWLSGKESGLFDMRDVLDLNNL

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
formula_weight	663.4 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	63

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6. Citations (3)

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length_a	81.200 Å
length_b	84.500 Å
length_c	91.900 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	I 2 2 2
int_tables_number	23
crystal_system	—

resolution	2.200 Å
resolution_low	20.000 Å
r_factor	0.1920
r_work	—
r_free	—

fit	/app/data/saxs_computation/dr/1dru/1dru.fit
pddf	/app/data/pr_computation/dr/1dru/1dru.pr.out
profile	/app/data/saxs_computation/dr/1dru/1dru.dat

ESCHERICHIA COLI DHPR/NADH COMPLEX

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