← Back to search

1doz

CRYSTAL STRUCTURE OF FERROCHELATASE

Method: X-RAY DIFFRACTION D_max: 70.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1doz
deposition_date	1999-12-22
title	CRYSTAL STRUCTURE OF FERROCHELATASE
keywords	ROSSMANN FOLD, PI-HELIX, LYASE; LYASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	21.23 Å
rg_electron	19.94 Å
i0	21272700.00
molecular_weight	35267.0 kDa
excluded_volume	44148 Å³
envelope_volume	50761 Å³
shell_volume	21414 Å³
envelope_diameter	68.2 Å
shell_rg	26.38 Å
envelope_rg	20.13 Å
shape_rg	19.90 Å
total_rg	20.90 Å
total_atoms	2489
n_residues	309
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	70.1 Å
rg_real	21.15 Å
rg_real_error	0.45 Å
i0_real	2.1270e+07
i0_real_error	2.6830e+05
rg_reciprocal	21.16 Å
i0_reciprocal	21270000.0000
total_estimate	0.8868
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	25.8 Å
skewness	0.245
kurtosis	-0.341
angular_range	— – 0.3750 Å⁻¹
current_alpha	0.0000
highest_alpha	3907000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.844; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.993

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (3)

Entity 1 polymer

description	FERROCHELATASE
formula_weight	35258.5 kDa
ec_number	4.99.1.1
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2805

SRKKMGLLVMAYGTPYKEEDIERYYTHIRRGRKPEPEMLQDLKDRYEAIGGISPLAQITEQQAHNLEQHLNEIQDEITFKAYIGLKHIEPFIEDAVAEMHKDGITEAVSIVLAPHFSTFSVQSYNKRAKEEAEKLGGLTITSVESWYDEPKFVTYWVDRVKETYASMPEDERENAMLIVSAHSLPEKIKEFGDPYPDQLHESAKLIAEGAGVSEYAVGWQSEGNTPDPWLGPDVQDLTRDLFEQKGYQAFVYVPVGFVADHLEVLYDNDYECKVVTDDIGASYYRPEMPNAKPEFIDALATVVLKKLGR

Source

organism	Bacillus subtilis
ncbi_taxonomy_id	1423
host_organism	Escherichia coli

Entity 2 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	3

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	316

▶

6. Citations (1)

▶

length_a	48.510 Å
length_b	49.970 Å
length_c	119.240 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	1.800 Å
resolution_low	14.910 Å
r_factor	0.1830
r_work	0.1830
r_free	0.2160

fit	/app/data/saxs_computation/do/1doz/1doz.fit
pddf	/app/data/pr_computation/do/1doz/1doz.pr.out
profile	/app/data/saxs_computation/do/1doz/1doz.dat

CRYSTAL STRUCTURE OF FERROCHELATASE

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