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1ah5

REDUCED FORM SELENOMETHIONINE-LABELLED HYDROXYMETHYLBILANE SYNTHASE DETERMINED BY MAD

Method: X-RAY DIFFRACTION D_max: 64.2 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ah5
deposition_date	1997-04-13
title	REDUCED FORM SELENOMETHIONINE-LABELLED HYDROXYMETHYLBILANE SYNTHASE DETERMINED BY MAD
keywords	BIOSYNTHESIS OF LINEAR TETRAPYRROLE, ALL ALPHA/BETA, TRANSFERASE; TRANSFERASE
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	20.39 Å
rg_electron	19.34 Å
i0	20339500.00
molecular_weight	32975.0 kDa
excluded_volume	40763 Å³
envelope_volume	47172 Å³
shell_volume	20495 Å³
envelope_diameter	64.5 Å
shell_rg	25.56 Å
envelope_rg	19.35 Å
shape_rg	19.35 Å
total_rg	20.11 Å
total_atoms	2298
n_residues	294
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	64.2 Å
rg_real	20.29 Å
rg_real_error	0.30 Å
i0_real	2.0340e+07
i0_real_error	2.4870e+05
rg_reciprocal	20.31 Å
i0_reciprocal	20340000.0000
total_estimate	0.9018
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	23.9 Å
skewness	0.179
kurtosis	-0.485
angular_range	— – 0.3900 Å⁻¹
current_alpha	0.0000
highest_alpha	6578000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.910; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.993

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	HYDROXYMETHYLBILANE SYNTHASE
formula_weight	34126.3 kDa
ec_number	2.5.1.61
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2475

MLDNVLRIATRQSPLALWQAHYVKDKLMASHPGLVVELVPMVTRGDVILDTPLAKVGGKGLFVKELEVALLENRADIAVHSMKDVPVEFPQGLGLVTICEREDPRDAFVSNNYDSLDALPAGSIVGTSSLRRQCQLAERRPDLIIRSLRGNVGTRLSKLDNGEYDAIILAVAGLKRLGLESRIRAALPPEISLPAVGQGAVGIECRLDDSRTRELLAALNHHETALRVTAERAMNTRLEGGCQVPIGSYAELIDGEIWLRALVGAPDGSQIIRGERRGAPQDAEQMGISLAEELLNNGAREILAEVYNGDAPA

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid
formula_weight	420.4 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	177

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6. Citations (1)

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length_a	88.470 Å
length_b	76.150 Å
length_c	50.790 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	2.400 Å
resolution_low	8.000 Å
r_factor	0.1680
r_work	0.1680
r_free	0.2350

fit	/app/data/saxs_computation/ah/1ah5/1ah5.fit
pddf	/app/data/pr_computation/ah/1ah5/1ah5.pr.out
profile	/app/data/saxs_computation/ah/1ah5/1ah5.dat

REDUCED FORM SELENOMETHIONINE-LABELLED HYDROXYMETHYLBILANE SYNTHASE DETERMINED BY MAD

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