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1drw

ESCHERICHIA COLI DHPR/NHDH COMPLEX

Method: X-RAY DIFFRACTION D_max: 73.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1drw
deposition_date	1996-06-28
title	ESCHERICHIA COLI DHPR/NHDH 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	21.71 Å
rg_electron	20.84 Å
i0	15852100.00
molecular_weight	28858.0 kDa
excluded_volume	35605 Å³
envelope_volume	43567 Å³
shell_volume	18213 Å³
envelope_diameter	74.2 Å
shell_rg	26.45 Å
envelope_rg	21.07 Å
shape_rg	20.86 Å
total_rg	21.51 Å
total_atoms	2024
n_residues	272
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	73.1 Å
rg_real	21.79 Å
rg_real_error	0.66 Å
i0_real	1.5850e+07
i0_real_error	2.0830e+05
rg_reciprocal	21.78 Å
i0_reciprocal	15850000.0000
total_estimate	0.8717
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	22.9 Å
skewness	0.430
kurtosis	-0.295
angular_range	— – 0.3650 Å⁻¹
current_alpha	0.0000
highest_alpha	2604000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.821; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 0.907; Smooth: 0.966

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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	2105

MHDANIRVAIAGAGGRMGRQLIQAALALEGVQLGAALEREGSSLLGSDAGELAGAGKTGVTVQSSLDAVKDDFDVFIDFTRPEGTLNHLAFCRQHGKGMVIGTTGFDEAGKQAIRDAAADIAIVFAANFSVGVNVMLKLLEKAAKVMGDYTDIEIIEAHHRHKVDAPSGTALAMGEAIAHALDKDLKDCAVYSREGHTGERVPGTIGFATVRAGDIVGEHTAMFADIGERLEITHKASSRMTFANGAVRSALWLSGKESGLFDMRDVLDLNNL

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	NICOTINAMIDE PURIN-6-OL-DINUCLEOTIDE
formula_weight	664.4 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	81

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6. Citations (3)

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length_a	75.600 Å
length_b	81.700 Å
length_c	93.800 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	—
r_work	0.1800
r_free	—

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

ESCHERICHIA COLI DHPR/NHDH 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