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1b9i

CRYSTAL STRUCTURE OF 3-AMINO-5-HYDROXYBENZOIC ACID (AHBA) SYNTHASE

Method: X-RAY DIFFRACTION D_max: 75.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b9i
deposition_date	1999-02-11
title	CRYSTAL STRUCTURE OF 3-AMINO-5-HYDROXYBENZOIC ACID (AHBA) SYNTHASE
keywords	RIFAMYCIN BIOSYNTHESIS (RIFD GENE); RIFAMYCIN BIOSYNTHESIS (RIFD GENE)
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	22.02 Å
rg_electron	20.96 Å
i0	31869800.00
molecular_weight	42020.0 kDa
excluded_volume	51935 Å³
envelope_volume	59252 Å³
shell_volume	23380 Å³
envelope_diameter	78.1 Å
shell_rg	28.12 Å
envelope_rg	21.42 Å
shape_rg	20.96 Å
total_rg	21.77 Å
total_atoms	2960
n_residues	384
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	75.9 Å
rg_real	21.94 Å
rg_real_error	0.50 Å
i0_real	3.1870e+07
i0_real_error	3.8010e+05
rg_reciprocal	21.96 Å
i0_reciprocal	31870000.0000
total_estimate	0.8656
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.1 Å
skewness	0.283
kurtosis	-0.295
angular_range	— – 0.3600 Å⁻¹
current_alpha	0.0000
highest_alpha	6965000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.774; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.979; Smooth: 0.947

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PROTEIN (3-AMINO-5-HYDROXYBENZOIC ACID SYNTHASE)
formula_weight	42248.6 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3157

MNARKAPEFPAWPQYDDAERNGLVRALEQGQWWRMGGDEVNSFEREFAAHHGAAHALAVTNGTHALELALQVMGVGPGTEVIVPAFTFISSSQAAQRLGAVTVPVDVDAATYNLDPEAVAAAVTPRTKVIMPVHMAGLMADMDALAKISADTGVPLLQDAAHAHGARWQGKRVGELDSIATFSFQNGKLMTAGEGGAVVFPDGETEKYETAFLRHSCGRPRDDRRYFHKIAGSNMRLNEFSASVLRAQLARLDEQIAVRDERWTLLSRLLGAIDGVVPQGGDVRADRNSHYMAMFRIPGLTEERRNALVDRLVEAGLPAFAAFRAIYRTDAFWELGAPDESVDAIARRCPNTDAISSDCVWLHHRVLLAGEPELHATAEIIADAVGRA

Source

organism	Amycolatopsis mediterranei
ncbi_taxonomy_id	33910
host_organism	Escherichia coli

Entity 2 non-polymer

description	3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID
formula_weight	368.3 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	188

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6. Citations (1)

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length_a	89.630 Å
length_b	89.630 Å
length_c	126.570 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 32 2 1
int_tables_number	154
crystal_system	—

resolution	2.000 Å
resolution_low	20.000 Å
r_factor	0.2250
r_work	0.2220
r_free	0.2720

fit	/app/data/saxs_computation/b9/1b9i/1b9i.fit
pddf	/app/data/pr_computation/b9/1b9i/1b9i.pr.out
profile	/app/data/saxs_computation/b9/1b9i/1b9i.dat

CRYSTAL STRUCTURE OF 3-AMINO-5-HYDROXYBENZOIC ACID (AHBA) SYNTHASE

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