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1bvr

M.TB. ENOYL-ACP REDUCTASE (INHA) IN COMPLEX WITH NAD+ AND C16-FATTY-ACYL-SUBSTRATE

Method: X-RAY DIFFRACTION D_max: 140.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bvr
deposition_date	1998-09-17
title	M.TB. ENOYL-ACP REDUCTASE (INHA) IN COMPLEX WITH NAD+ AND C16-FATTY-ACYL-SUBSTRATE
keywords	;NADH-DEPENDENT ENOYL-ACP REDUCTASE, Structural Genomics, PSI, Protein Structure Initiative, TB Structural Genomics Consortium, TBSGC, 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	41.47 Å
rg_electron	41.51 Å
i0	459342000.00
molecular_weight	175570.0 kDa
excluded_volume	219910 Å³
envelope_volume	273860 Å³
shell_volume	56934 Å³
envelope_diameter	152.6 Å
shell_rg	44.72 Å
envelope_rg	41.68 Å
shape_rg	41.50 Å
total_rg	41.68 Å
total_atoms	12324
n_residues	1608
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	140.9 Å
rg_real	41.75 Å
rg_real_error	1.30 Å
i0_real	4.5930e+08
i0_real_error	8.2780e+06
rg_reciprocal	41.47 Å
i0_reciprocal	459200000.0000
total_estimate	0.7781
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	40.8 Å
skewness	0.559
kurtosis	-0.260
angular_range	— – 0.1900 Å⁻¹
current_alpha	0.0000
highest_alpha	104200000.0000
n_real_points	39
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.724; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.942; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (ENOYL-ACYL CARRIER PROTEIN (ACP) REDUCTASE)
formula_weight	28423.6 kDa
ec_number	1.3.1.9
src_method	man
entity_count	6

Polymer

type	polypeptide(L)
strand_id	A,B,C,D,E,F
atom_count	12987

TGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSAIVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATTGDIIYADGGAHTQLL

Source

organism	Mycobacterium tuberculosis
ncbi_taxonomy_id	1773
host_organism	Escherichia coli

Entity 2 non-polymer

description	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
formula_weight	663.4 kDa
src_method	syn
entity_count	6

Entity 3 non-polymer

description	TRANS-2-HEXADECENOYL-(N-ACETYL-CYSTEAMINE)-THIOESTER
formula_weight	357.6 kDa
src_method	syn
entity_count	4

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	663

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6. Citations (1)

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length_a	101.080 Å
length_b	83.450 Å
length_c	192.810 Å
angle_alpha	90.00 °
angle_beta	95.24 °
angle_gamma	90.00 °
z_pdb	24

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.800 Å
resolution_low	10.000 Å
r_factor	0.2170
r_work	0.2170
r_free	0.3440

fit	/app/data/saxs_computation/bv/1bvr/1bvr.fit
pddf	/app/data/pr_computation/bv/1bvr/1bvr.pr.out
profile	/app/data/saxs_computation/bv/1bvr/1bvr.dat

M.TB. ENOYL-ACP REDUCTASE (INHA) IN COMPLEX WITH NAD+ AND C16-FATTY-ACYL-SUBSTRATE

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