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1c3v

DIHYDRODIPICOLINATE REDUCTASE FROM MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH AND PDC

Method: X-RAY DIFFRACTION D_max: 92.5 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1c3v
deposition_date	1999-07-28
title	DIHYDRODIPICOLINATE REDUCTASE FROM MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH AND PDC
keywords	;TWO-DOMAIN STRUCTURE, TB Structural Genomics Consortium, TBSGC, Structural Genomics, PSI, Protein Structure Initiative, 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	27.49 Å
rg_electron	26.79 Å
i0	48928700.00
molecular_weight	53353.0 kDa
excluded_volume	66469 Å³
envelope_volume	81729 Å³
shell_volume	26816 Å³
envelope_diameter	97.3 Å
shell_rg	32.53 Å
envelope_rg	26.78 Å
shape_rg	26.77 Å
total_rg	27.46 Å
total_atoms	3753
n_residues	490
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	92.5 Å
rg_real	27.67 Å
rg_real_error	0.86 Å
i0_real	4.8930e+07
i0_real_error	8.4420e+05
rg_reciprocal	27.62 Å
i0_reciprocal	48930000.0000
total_estimate	0.6653
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	27.1 Å
skewness	0.484
kurtosis	-0.325
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	8858000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.816; Stabil: 1.000; Sysdev: 0.127; Positv: 1.000; Valcen: 0.916; Smooth: 0.899

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	DIHYDRODIPICOLINATE REDUCTASE
formula_weight	25793.4 kDa
ec_number	1.3.1.26
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	3778

MRVGVLGAKGKVGTTMVRAVAAADDLTLSAELDAGDPLSLLTDGNTEVVIDFTHPDVVMGNLEFLIDNGIHAVVGTTGFTAERFQQVESWLVAKPNTSVLIAPNFAIGAVLSMHFAKQAARFFDSAEVIELHHPHKADAPSGTAARTAKLIAEARKGLPPNPDATSTSLPGARGADVDGIPVHAVRLAGLVAHQEVLFGTEGETLTIRHDSLDRTSFVPGVLLAVRRIAERPGLTVGLEPLLDLH

Source

organism	Mycobacterium tuberculosis
ncbi_taxonomy_id	1773
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	2

Entity 3 non-polymer

description	PYRIDINE-2,6-DICARBOXYLIC ACID
formula_weight	167.1 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	TETRAETHYLENE GLYCOL
formula_weight	194.2 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	25

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6. Citations (1)

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length_a	118.831 Å
length_b	118.257 Å
length_c	79.377 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	I 21 21 21
int_tables_number	24
crystal_system	—

resolution	2.390 Å
resolution_low	30.400 Å
r_factor	0.1970
r_work	0.1930
r_free	0.2430

fit	/app/data/saxs_computation/c3/1c3v/1c3v.fit
pddf	/app/data/pr_computation/c3/1c3v/1c3v.pr.out
profile	/app/data/saxs_computation/c3/1c3v/1c3v.dat