← Back to search

1dih

THREE-DIMENSIONAL STRUCTURE OF E. COLI DIHYDRODIPICOLINATE REDUCTASE

Method: X-RAY DIFFRACTION D_max: 73.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1dih
deposition_date	1994-09-14
title	THREE-DIMENSIONAL STRUCTURE OF E. COLI DIHYDRODIPICOLINATE REDUCTASE
keywords	OXIDOREDUCTASE; OXIDOREDUCTASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	21.73 Å
rg_electron	20.86 Å
i0	16026400.00
molecular_weight	28924.0 kDa
excluded_volume	35645 Å³
envelope_volume	43556 Å³
shell_volume	18227 Å³
envelope_diameter	74.2 Å
shell_rg	26.38 Å
envelope_rg	21.09 Å
shape_rg	20.88 Å
total_rg	21.51 Å
total_atoms	2027
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

▼

3. P(r) Analysis (GNOM)

dmax	73.7 Å
rg_real	21.81 Å
rg_real_error	0.53 Å
i0_real	1.6030e+07
i0_real_error	2.0870e+05
rg_reciprocal	21.79 Å
i0_reciprocal	16030000.0000
total_estimate	0.8728
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	23.1 Å
skewness	0.432
kurtosis	-0.292
angular_range	— – 0.3650 Å⁻¹
current_alpha	0.0000
highest_alpha	2457000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.816; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.906; Smooth: 0.987

▶

4. Crystallography & Experiment

▶

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	2086

MHDANIRVAIAGAGGRMGRQLIQAALALEGVQLGAALEREGSSLLGSDAGELAGAGKTGVTVQSSLDAVKDDFDVFIDFTRPEGTLNHLAFCRQHGKGMVIGTTGFDEAGKQAIRDAAADIAIVFAANFSVGVNVMLKLLEKAAKVMGDYTDIEIIEAHHRHKVDAPSGTALAMGEAIAHALDKDLKDCAVYSREGHTGERVPGTIGFATVRAGDIVGEHTAMFADIGERLEITHKASSRMTFANGAVRSALWLSGKESGLFDMRDVLDLNNL

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
formula_weight	745.4 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	59

▶

6. Citations (2)

▶

length_a	75.700 Å
length_b	81.200 Å
length_c	94.200 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	0.1870
r_free	—

fit	/app/data/saxs_computation/di/1dih/1dih.fit
pddf	/app/data/pr_computation/di/1dih/1dih.pr.out
profile	/app/data/saxs_computation/di/1dih/1dih.dat