← Back to search

1ad4

DIHYDROPTEROATE SYNTHETASE COMPLEXED WITH OH-CH2-PTERIN-PYROPHOSPHATE FROM STAPHYLOCOCCUS AUREUS

Method: X-RAY DIFFRACTION D_max: 87.0 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1ad4
deposition_date	1997-02-20
title	DIHYDROPTEROATE SYNTHETASE COMPLEXED WITH OH-CH2-PTERIN-PYROPHOSPHATE FROM STAPHYLOCOCCUS AUREUS
keywords	TRANSFERASE, SYNTHETASE, DIHYDROPTEROATE SYNTHETASE; TRANSFERASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	26.58 Å
rg_electron	26.07 Å
i0	52787100.00
molecular_weight	55773.0 kDa
excluded_volume	69583 Å³
envelope_volume	82807 Å³
shell_volume	27434 Å³
envelope_diameter	90.5 Å
shell_rg	32.51 Å
envelope_rg	26.18 Å
shape_rg	26.11 Å
total_rg	26.66 Å
total_atoms	3894
n_residues	499
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	87.0 Å
rg_real	26.69 Å
rg_real_error	0.68 Å
i0_real	5.2790e+07
i0_real_error	8.2870e+05
rg_reciprocal	26.66 Å
i0_reciprocal	52790000.0000
total_estimate	0.7152
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	27.6 Å
skewness	0.470
kurtosis	-0.330
angular_range	— – 0.3000 Å⁻¹
current_alpha	0.0000
highest_alpha	13340000.0000
n_real_points	61
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.845; Stabil: 1.000; Sysdev: 0.291; Positv: 1.000; Valcen: 0.936; Smooth: 0.949

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (5)

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	4209

TKTKIMGILNVTPDSFSDGGKFNNVESAVTRVKAMMDEGADIIDVGGVSTRPGHEMITVEEELNRVLPVVEAIVGFDVKISVDTFRSEVAEACLKLGVDIINDQWAGLYDHRMFQVVAKYDAEIVLMHNGNGNRDEPVVEEMLTSLLAQAHQAKIAGIPSNKIWLDPGIGFAKTRNEEAEVMARLDELVATEYPVLLATSRKRFTKEMMGYDTTPVERDEVTAATTAYGIMKGVRAVRVHNVELNAKLAKGIDFLKENENARHNFS

Entity 2 non-polymer

description	MANGANESE (II) ION
formula_weight	54.9 kDa
src_method	syn
entity_count	3

Entity 3 non-polymer

description	POTASSIUM ION
formula_weight	39.1 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	6-HYDROXYMETHYLPTERIN-DIPHOSPHATE
formula_weight	353.1 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	315

▶

6. Citations (1)

▶

length_a	65.748 Å
length_b	42.142 Å
length_c	99.040 Å
angle_alpha	90.00 °
angle_beta	106.06 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.400 Å
resolution_low	13.000 Å
r_factor	0.1760
r_work	0.1760
r_free	—

fit	/app/data/saxs_computation/ad/1ad4/1ad4.fit
pddf	/app/data/pr_computation/ad/1ad4/1ad4.pr.out
profile	/app/data/saxs_computation/ad/1ad4/1ad4.dat

DIHYDROPTEROATE SYNTHETASE COMPLEXED WITH OH-CH2-PTERIN-PYROPHOSPHATE 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