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1c1h

CRYSTAL STRUCTURE OF BACILLUS SUBTILIS FERROCHELATASE IN COMPLEX WITH N-METHYL MESOPORPHYRIN

Method: X-RAY DIFFRACTION D_max: 67.7 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1c1h
deposition_date	1999-07-22
title	CRYSTAL STRUCTURE OF BACILLUS SUBTILIS FERROCHELATASE IN COMPLEX WITH N-METHYL MESOPORPHYRIN
keywords	ROSSMANN FOLD, ALPHA/BETA FOLD, FERROCHELATASE, HEME SYNTHESIS, PORPHYRIN METALLATION, PI-HELIX, LYASE; LYASE
method	X-RAY DIFFRACTION

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Download Data

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

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2. SAXS Parameters (CRYSOL)

rg_guinier	21.00 Å
rg_electron	19.65 Å
i0	21077900.00
molecular_weight	35426.0 kDa
excluded_volume	44475 Å³
envelope_volume	50146 Å³
shell_volume	21314 Å³
envelope_diameter	67.9 Å
shell_rg	26.13 Å
envelope_rg	19.91 Å
shape_rg	19.63 Å
total_rg	20.63 Å
total_atoms	2504
n_residues	306
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

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3. P(r) Analysis (GNOM)

dmax	67.7 Å
rg_real	20.91 Å
rg_real_error	0.32 Å
i0_real	2.1080e+07
i0_real_error	2.6220e+05
rg_reciprocal	20.93 Å
i0_reciprocal	21080000.0000
total_estimate	0.7339
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	25.5 Å
skewness	0.242
kurtosis	-0.345
angular_range	— – 0.3800 Å⁻¹
current_alpha	0.0002
highest_alpha	3958000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.879; Stabil: 1.000; Sysdev: 0.301; Positv: 1.000; Valcen: 0.999; Smooth: 0.999

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	FERROCHELATASE
formula_weight	35389.7 kDa
ec_number	4.99.1.1
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2883

MSRKKMGLLVMAYGTPYKEEDIERYYTHIRRGRKPEPEMLQDLKDRYEAIGGISPLAQITEQQAHNLEQHLNEIQDEITFKAYIGLKHIEPFIEDAVAEMHKDGITEAVSIVLAPHFSTFSVQSYNKRAKEEAEKLGGLTITSVESWYDEPKFVTYWVDRVKETYASMPEDERENAMLIVSAHSLPEKIKEFGDPYPDQLHESAKLIAEGAGVSEYAVGWQSEGNTPDPWLGPDVQDLTRDLFEQKGYQAFVYVPVGFVADHLEVLYDNDYECKVVTDDIGASYYRPEMPNAKPEFIDALATVVLKKLGR

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	1

Entity 3 non-polymer

description	N-METHYLMESOPORPHYRIN
formula_weight	580.7 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	344

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6. Citations (1)

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length_a	49.970 Å
length_b	58.680 Å
length_c	98.050 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	1.900 Å
resolution_low	20.000 Å
r_factor	0.1810
r_work	0.1810
r_free	0.2310

fit	/app/data/saxs_computation/c1/1c1h/1c1h.fit
pddf	/app/data/pr_computation/c1/1c1h/1c1h.pr.out
profile	/app/data/saxs_computation/c1/1c1h/1c1h.dat

CRYSTAL STRUCTURE OF BACILLUS SUBTILIS FERROCHELATASE IN COMPLEX WITH N-METHYL MESOPORPHYRIN

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