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1cbf

THE X-RAY STRUCTURE OF A COBALAMIN BIOSYNTHETIC ENZYME, COBALT PRECORRIN-4 METHYLTRANSFERASE, CBIF

Method: X-RAY DIFFRACTION D_max: 69.3 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cbf
deposition_date	1998-05-01
title	THE X-RAY STRUCTURE OF A COBALAMIN BIOSYNTHETIC ENZYME, COBALT PRECORRIN-4 METHYLTRANSFERASE, CBIF
keywords	PRECORRIN-4 METHYLTRANSFERASE, METHYLASE, COBALAMIN BIOSYNTHESIS, METHYLTRANSFERASE; METHYLTRANSFERASE
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	21.09 Å
rg_electron	20.14 Å
i0	12217800.00
molecular_weight	26551.0 kDa
excluded_volume	33478 Å³
envelope_volume	40131 Å³
shell_volume	17309 Å³
envelope_diameter	73.1 Å
shell_rg	25.74 Å
envelope_rg	20.36 Å
shape_rg	20.14 Å
total_rg	20.96 Å
total_atoms	1854
n_residues	239
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	69.3 Å
rg_real	21.15 Å
rg_real_error	0.50 Å
i0_real	1.2220e+07
i0_real_error	1.5630e+05
rg_reciprocal	21.14 Å
i0_reciprocal	12220000.0000
total_estimate	0.6543
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	22.4 Å
skewness	0.385
kurtosis	-0.470
angular_range	— – 0.3750 Å⁻¹
current_alpha	0.0000
highest_alpha	3090000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.825; Stabil: 1.000; Sysdev: 0.368; Positv: 1.000; Valcen: 0.925; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	COBALT-PRECORRIN-4 TRANSMETHYLASE
formula_weight	30996.1 kDa
ec_number	2.1.1.133
mutation	HIS-TAGGED
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1993

MGSSHHHHHHSSGLVPRGSHMKLYIIGAGPGDPDLITVKGLKLLQQADVVLYADSLVSQDLIAKSKPGAEVLKTAGMHLEEMVGTMLDRMREGKMVVRVHTGDPAMYGAIMEQMVLLKREGVDIEIVPGVTSVFAAAAAAEAELTIPDLTQTVILTRAEGRTPVPEFEKLTDLAKHKCTIALFLSSTLTKKVMKEFINAGWSEDTPVVVVYKATWPDEKIVRTTVKDLDDAMRTNGIRKQAMILAGWALDPATPWLSGLGENPAIRAMFVAHLHQALNMAVEEAA

Source

organism	Bacillus megaterium
ncbi_taxonomy_id	1404
host_organism	Escherichia coli

Entity 2 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	S-ADENOSYL-L-HOMOCYSTEINE
formula_weight	384.4 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	135

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6. Citations (2)

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length_a	80.700 Å
length_b	80.700 Å
length_c	109.400 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 31 2 1
int_tables_number	152
crystal_system	—

resolution	2.400 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.1950
r_free	0.2470

fit	/app/data/saxs_computation/cb/1cbf/1cbf.fit
pddf	/app/data/pr_computation/cb/1cbf/1cbf.pr.out
profile	/app/data/saxs_computation/cb/1cbf/1cbf.dat

THE X-RAY STRUCTURE OF A COBALAMIN BIOSYNTHETIC ENZYME, COBALT PRECORRIN-4 METHYLTRANSFERASE, CBIF

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