CRYSTAL STRUCTURE OF ARISTOLOCHENE SYNTHASE FROM PENICILLIUM ROQUEFORTI

Method: X-RAY DIFFRACTION D_max: 125.5 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1di1
deposition_date	1999-11-28
title	CRYSTAL STRUCTURE OF ARISTOLOCHENE SYNTHASE FROM PENICILLIUM ROQUEFORTI
keywords	SESQUITERPENE CYCLASE, ISOPRENOID BIOSYNTHESIS, LYASE; LYASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	37.44 Å
rg_electron	37.50 Å
i0	67829300.00
molecular_weight	66700.0 kDa
excluded_volume	83509 Å³
envelope_volume	113490 Å³
shell_volume	26211 Å³
envelope_diameter	125.5 Å
shell_rg	41.59 Å
envelope_rg	36.71 Å
shape_rg	37.44 Å
total_rg	37.95 Å
total_atoms	4692
n_residues	580
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	125.5 Å
rg_real	37.91 Å
rg_real_error	1.65 Å
i0_real	6.7830e+07
i0_real_error	1.2030e+06
rg_reciprocal	37.63 Å
i0_reciprocal	67810000.0000
total_estimate	0.7000
solution_quality	REASONABLE a REASONABLE solution
n_peaks	3
r_peak_primary	26.9 Å
skewness	0.383
kurtosis	-0.962
angular_range	— – 0.2100 Å⁻¹
current_alpha	0.0000
highest_alpha	11030000.0000
n_real_points	43
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.259; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.404; Smooth: 0.913

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (2)

▶

6. Citations (1)

▶

length_a	208.200 Å
length_b	208.200 Å
length_c	139.600 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	32

space_group	I 4 2 2
int_tables_number	97
crystal_system	—

resolution	2.500 Å
resolution_low	20.000 Å
r_factor	0.2480
r_work	0.2470
r_free	0.2730

description	ARISTOLOCHENE SYNTHASE
formula_weight	34497.2 kDa
ec_number	4.1.99.7
src_method	man
entity_count	2

type	polypeptide(L)
strand_id	A,B
atom_count	5023

CRYSTAL STRUCTURE OF ARISTOLOCHENE SYNTHASE FROM PENICILLIUM ROQUEFORTI

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

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Penicillium roqueforti
ncbi_taxonomy_id	5082
host_organism	Escherichia coli

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	331

fit	/app/data/saxs_computation/di/1di1/1di1.fit
pddf	/app/data/pr_computation/di/1di1/1di1.pr.out
profile	/app/data/saxs_computation/di/1di1/1di1.dat