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DIHYDROPTEROATE SYNTHETASE (APO FORM) FROM STAPHYLOCOCCUS AUREUS

Method: X-RAY DIFFRACTION D_max: 87.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ad1
deposition_date	1997-02-19
title	DIHYDROPTEROATE SYNTHETASE (APO FORM) FROM STAPHYLOCOCCUS AUREUS
keywords	SYNTHETASE, TRANSFERASE, DIHYDROPTEROATE SYNTHETASE, DHPS, APO FORM, COMPLEX WITH OH-CH2-PTERIN-PYROPHOSPHATE; 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	26.87 Å
rg_electron	26.28 Å
i0	54418300.00
molecular_weight	57029.0 kDa
excluded_volume	71349 Å³
envelope_volume	85626 Å³
shell_volume	28020 Å³
envelope_diameter	91.7 Å
shell_rg	32.74 Å
envelope_rg	26.35 Å
shape_rg	26.30 Å
total_rg	26.91 Å
total_atoms	3994
n_residues	515
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	87.2 Å
rg_real	26.97 Å
rg_real_error	0.68 Å
i0_real	5.4420e+07
i0_real_error	7.8960e+05
rg_reciprocal	26.94 Å
i0_reciprocal	54420000.0000
total_estimate	0.8035
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	28.1 Å
skewness	0.449
kurtosis	-0.358
angular_range	— – 0.2950 Å⁻¹
current_alpha	0.0000
highest_alpha	13610000.0000
n_real_points	60
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.836; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.934; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	DIHYDROPTEROATE SYNTHETASE
formula_weight	29402.5 kDa
ec_number	2.5.1.15
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4395

TKTKIMGILNVTPDSFSDGGKFNNVESAVTRVKAMMDEGADIIDVGGVSTRPGHEMITVEEELNRVLPVVEAIVGFDVKISVDTFRSEVAEACLKLGVDIINDQWAGLYDHRMFQVVAKYDAEIVLMHNGNGNRDEPVVEEMLTSLLAQAHQAKIAGIPSNKIWLDPGIGFAKTRNEEAEVMARLDELVATEYPVLLATSRKRFTKEMMGYDTTPVERDEVTAATTAYGIMKGVRAVRVHNVELNAKLAKGIDFLKENENARHNFS

Entity 2 non-polymer

description	POTASSIUM ION
formula_weight	39.1 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
formula_weight	122.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	401

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6. Citations (1)

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length_a	64.470 Å
length_b	42.190 Å
length_c	101.320 Å
angle_alpha	90.00 °
angle_beta	106.33 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.200 Å
resolution_low	13.500 Å
r_factor	0.1590
r_work	0.1590
r_free	0.2180

fit	/app/data/saxs_computation/ad/1ad1/1ad1.fit
pddf	/app/data/pr_computation/ad/1ad1/1ad1.pr.out
profile	/app/data/saxs_computation/ad/1ad1/1ad1.dat

DIHYDROPTEROATE SYNTHETASE (APO FORM) FROM STAPHYLOCOCCUS AUREUS

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