← Back to search

1aj2

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

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

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1aj2
deposition_date	1997-05-14
title	CRYSTAL STRUCTURE OF A BINARY COMPLEX OF E. COLI DIHYDROPTEROATE SYNTHASE
keywords	ANTIBIOTIC, RESISTANCE, TRANSFERASE, FOLATE, BIOSYNTHESIS, SYNTHASE; SYNTHASE
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	19.05 Å
rg_electron	17.92 Å
i0	17764600.00
molecular_weight	31057.0 kDa
excluded_volume	38561 Å³
envelope_volume	44564 Å³
shell_volume	20273 Å³
envelope_diameter	62.8 Å
shell_rg	24.69 Å
envelope_rg	18.15 Å
shape_rg	17.94 Å
total_rg	18.78 Å
total_atoms	2174
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

▼

3. P(r) Analysis (GNOM)

dmax	60.1 Å
rg_real	18.90 Å
rg_real_error	0.28 Å
i0_real	1.7760e+07
i0_real_error	2.1500e+05
rg_reciprocal	18.92 Å
i0_reciprocal	17760000.0000
total_estimate	0.8882
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.0 Å
skewness	0.105
kurtosis	-0.416
angular_range	— – 0.4150 Å⁻¹
current_alpha	0.0000
highest_alpha	5519000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.860; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.987; Smooth: 0.976

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

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	2326

MKLFAQGTSLDLSHPHVMGILNVTPDSFSDGGTHNSLIDAVKHANLMINAGATIIDVGGESTRPGAAEVSVEEELQRVIPVVEAIAQRFEVWISVDTSKPEVIRESAKVGAHIINDIRSLSEPGALEAAAETGLPVCLMHMQGNPKTMQEAPKYDDVFAEVNRYFIEQIARCEQAGIAKEKLLLDPGFGFGKNLSHNYSLLARLAEFHHFNLPLLVGMSRKSMIGQLLNVGPSERLSGSLACAVIAAMQGAHIIRVHDVKETVEAMRVVEATLSAKENKRYE

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	[7,8-DIHYDRO-PTERIN-6-YL METHANYL]-PHOSPHONOPHOSPHATE
formula_weight	355.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	152

▶

6. Citations (1)

▶

length_a	93.500 Å
length_b	60.940 Å
length_c	59.930 Å
angle_alpha	90.00 °
angle_beta	114.80 °
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	0.1690
r_work	0.1690
r_free	—

fit	/app/data/saxs_computation/aj/1aj2/1aj2.fit
pddf	/app/data/pr_computation/aj/1aj2/1aj2.pr.out
profile	/app/data/saxs_computation/aj/1aj2/1aj2.dat

CRYSTAL STRUCTURE OF A BINARY 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