← Back to search

1ds0

CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE

Method: X-RAY DIFFRACTION D_max: 64.5 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1ds0
deposition_date	2000-01-06
title	CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE
keywords	Oxygenase, Trifunctional Enzyme, CLAVAMINATE SYNTHASE 1, Jelly Roll, OXIDOREDUCTASE, LYASE; OXIDOREDUCTASE,LYASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	20.18 Å
rg_electron	19.08 Å
i0	23820700.00
molecular_weight	35573.0 kDa
excluded_volume	43820 Å³
envelope_volume	50263 Å³
shell_volume	21672 Å³
envelope_diameter	65.0 Å
shell_rg	25.83 Å
envelope_rg	19.32 Å
shape_rg	19.07 Å
total_rg	19.95 Å
total_atoms	2500
n_residues	323
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	64.5 Å
rg_real	20.07 Å
rg_real_error	0.23 Å
i0_real	2.3820e+07
i0_real_error	2.5720e+05
rg_reciprocal	20.09 Å
i0_reciprocal	23820000.0000
total_estimate	0.7193
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	25.8 Å
skewness	0.206
kurtosis	-0.354
angular_range	— – 0.3950 Å⁻¹
current_alpha	0.0001
highest_alpha	9267000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.859; Stabil: 1.000; Sysdev: 0.260; Positv: 1.000; Valcen: 0.991; Smooth: 1.000

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

Entity 1 polymer

description	CLAVAMINATE SYNTHASE 1
formula_weight	35415.8 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2857

MTSVDCTAYGPELRALAARLPRTPRADLYAFLDAAHTAAASLPGALATALDTFNAEGSEDGHLLLRGLPVEADADLPTTPSSTPAPEDRSLLTMEAMLGLVGRRLGLHTGYRELRSGTVYHDVYPSPGAHHLSSETSETLLEFHTEMAYHRLQPNYVMLACSRADHERTAATLVASVRKALPLLDERTRARLLDRRMPCCVDVAFRGGVDDPGAIAQVKPLYGDADDPFLGYDRELLAPEDPADKEAVAALSKALDEVTEAVYLEPGDLLIVDNFRTTHARTPFSPRWDGKDRWLHRVYIRTDRNGQLSGGERAGDVVAFTPRG

Source

organism	Streptomyces clavuligerus
ncbi_taxonomy_id	1901
host_organism	Escherichia coli

Entity 2 non-polymer

description	ACETATE ION
formula_weight	59.0 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	3

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	357

▶

6. Citations (1)

▶

length_a	66.980 Å
length_b	67.330 Å
length_c	68.430 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.630 Å
resolution_low	30.000 Å
r_factor	—
r_work	0.1800
r_free	0.2280

fit	/app/data/saxs_computation/ds/1ds0/1ds0.fit
pddf	/app/data/pr_computation/ds/1ds0/1ds0.pr.out
profile	/app/data/saxs_computation/ds/1ds0/1ds0.dat

CRYSTAL STRUCTURE OF CLAVAMINATE 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