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1aj0

CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E. COLI DIHYDROPTEROATE SYNTHASE

Method: X-RAY DIFFRACTION D_max: 60.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1aj0
deposition_date	1997-05-14
title	CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E. COLI DIHYDROPTEROATE SYNTHASE
keywords	ANTIBIOTIC, RESISTANCE, TRANSFERASE, FOLATE, BIOSYNTHESIS, SYNTHASE; SYNTHASE
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	19.08 Å
rg_electron	17.91 Å
i0	17567200.00
molecular_weight	31070.0 kDa
excluded_volume	38668 Å³
envelope_volume	44590 Å³
shell_volume	20290 Å³
envelope_diameter	63.1 Å
shell_rg	24.76 Å
envelope_rg	18.14 Å
shape_rg	17.93 Å
total_rg	18.81 Å
total_atoms	2177
n_residues	282
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	60.1 Å
rg_real	18.92 Å
rg_real_error	0.28 Å
i0_real	1.7570e+07
i0_real_error	2.0370e+05
rg_reciprocal	18.95 Å
i0_reciprocal	17570000.0000
total_estimate	0.8886
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.0 Å
skewness	0.104
kurtosis	-0.418
angular_range	— – 0.4150 Å⁻¹
current_alpha	0.0000
highest_alpha	5535000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.862; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.975

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	DIHYDROPTEROATE SYNTHASE
formula_weight	30652.1 kDa
ec_number	2.5.1.15
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2282

MKLFAQGTSLDLSHPHVMGILNVTPDSFSDGGTHNSLIDAVKHANLMINAGATIIDVGGESTRPGAAEVSVEEELQRVIPVVEAIAQRFEVWISVDTSKPEVIRESAKVGAHIINDIRSLSEPGALEAAAETGLPVCLMHMQGNPKTMQEAPKYDDVFAEVNRYFIEQIARCEQAGIAKEKLLLDPGFGFGKNLSHNYSLLARLAEFHHFNLPLLVGMSRKSMIGQLLNVGPSERLSGSLACAVIAAMQGAHIIRVHDVKETVEAMRVVEATLSAKENKRYE

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE
formula_weight	195.2 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	SULFANILAMIDE
formula_weight	172.2 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	105

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6. Citations (1)

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length_a	92.910 Å
length_b	60.670 Å
length_c	59.820 Å
angle_alpha	90.00 °
angle_beta	114.67 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 21 1
int_tables_number	5
crystal_system	—

resolution	2.000 Å
resolution_low	10.000 Å
r_factor	—
r_work	0.2060
r_free	—

fit	/app/data/saxs_computation/aj/1aj0/1aj0.fit
pddf	/app/data/pr_computation/aj/1aj0/1aj0.pr.out
profile	/app/data/saxs_computation/aj/1aj0/1aj0.dat

CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E. COLI DIHYDROPTEROATE 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