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1drv

ESCHERICHIA COLI DHPR/ACNADH COMPLEX

Method: X-RAY DIFFRACTION D_max: 73.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1drv
deposition_date	1996-06-28
title	ESCHERICHIA COLI DHPR/ACNADH 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	21.34 Å
rg_electron	20.43 Å
i0	15816500.00
molecular_weight	28715.0 kDa
excluded_volume	35414 Å³
envelope_volume	43207 Å³
shell_volume	18383 Å³
envelope_diameter	72.6 Å
shell_rg	26.07 Å
envelope_rg	20.71 Å
shape_rg	20.45 Å
total_rg	21.13 Å
total_atoms	2014
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	73.5 Å
rg_real	21.39 Å
rg_real_error	0.51 Å
i0_real	1.5820e+07
i0_real_error	2.2370e+05
rg_reciprocal	21.38 Å
i0_reciprocal	15820000.0000
total_estimate	0.8664
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	23.8 Å
skewness	0.433
kurtosis	-0.237
angular_range	— – 0.3700 Å⁻¹
current_alpha	0.0000
highest_alpha	2568000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.777; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.931; Smooth: 0.995

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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	2083

MHDANIRVAIAGAGGRMGRQLIQAALALEGVQLGAALEREGSSLLGSDAGELAGAGKTGVTVQSSLDAVKDDFDVFIDFTRPEGTLNHLAFCRQHGKGMVIGTTGFDEAGKQAIRDAAADIAIVFAANFSVGVNVMLKLLEKAAKVMGDYTDIEIIEAHHRHKVDAPSGTALAMGEAIAHALDKDLKDCAVYSREGHTGERVPGTIGFATVRAGDIVGEHTAMFADIGERLEITHKASSRMTFANGAVRSALWLSGKESGLFDMRDVLDLNNL

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE
formula_weight	662.4 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	69

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6. Citations (3)

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length_a	81.600 Å
length_b	84.600 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	—
r_work	0.1910
r_free	—

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

ESCHERICHIA COLI DHPR/ACNADH 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