← Back to search

1aj8

CITRATE SYNTHASE FROM PYROCOCCUS FURIOSUS

Method: X-RAY DIFFRACTION D_max: 88.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1aj8
deposition_date	1997-05-16
title	CITRATE SYNTHASE FROM PYROCOCCUS FURIOSUS
keywords	HYPERTHERMOSTABLE, LYASE; LYASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	27.09 Å
rg_electron	26.35 Å
i0	108479000.00
molecular_weight	86217.0 kDa
excluded_volume	109560 Å³
envelope_volume	122180 Å³
shell_volume	37227 Å³
envelope_diameter	91.2 Å
shell_rg	35.21 Å
envelope_rg	26.80 Å
shape_rg	26.34 Å
total_rg	27.22 Å
total_atoms	6080
n_residues	741
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	88.7 Å
rg_real	26.99 Å
rg_real_error	0.52 Å
i0_real	1.0850e+08
i0_real_error	1.4430e+06
rg_reciprocal	27.02 Å
i0_reciprocal	108500000.0000
total_estimate	0.8894
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	87.2 Å
skewness	0.270
kurtosis	-0.391
angular_range	— – 0.2950 Å⁻¹
current_alpha	0.0000
highest_alpha	36980000.0000
n_real_points	60
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.856; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.992

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

Entity 1 polymer

description	CITRATE SYNTHASE
formula_weight	42340.0 kDa
ec_number	4.1.3.7
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6562

LAKGLEDVYIDQTNICYIDGKEGKLYYRGYSVEELAELSTFEEVVYLLWWGKLPSLSELENFKKELAKSRGLPKEVIEIMEALPKNTHPMGALRTIISYLGNIDDSGDIPVTPEEVYRIGISVTAKIPTIVANWYRIKNGLEYVPPKEKLSHAANFLYMLHGEEPPKEWEKAMDVALILYAEHEINASTLAVMTVGSTLSDYYSAILAGIGALKGPIHGGAVEEAIKQFMEIGSPEKVEEWFFKALQQKRKIMGAGHRVYKTYDPRARIFKKYASKLGDKKLFEIAERLERLVEEYLSKKGISINVDYWSGLVFYGMKIPIELYTTIFAMGRIAGWTAHLAEYVSHNRIIRPRLQYVGEIGKKYLPIELRR

Source

organism	Pyrococcus furiosus
ncbi_taxonomy_id	2261
host_organism	Escherichia coli

Entity 2 non-polymer

description	COENZYME A
formula_weight	767.5 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	CITRIC ACID
formula_weight	192.1 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	482

▶

6. Citations (1)

▶

length_a	98.290 Å
length_b	98.290 Å
length_c	238.030 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	1.900 Å
resolution_low	100.000 Å
r_factor	0.1910
r_work	0.1910
r_free	0.2320

fit	/app/data/saxs_computation/aj/1aj8/1aj8.fit
pddf	/app/data/pr_computation/aj/1aj8/1aj8.pr.out
profile	/app/data/saxs_computation/aj/1aj8/1aj8.dat

CITRATE SYNTHASE FROM PYROCOCCUS FURIOSUS

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