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1bsj

COBALT DEFORMYLASE INHIBITOR COMPLEX FROM E.COLI

Method: X-RAY DIFFRACTION D_max: 54.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bsj
deposition_date	1998-08-28
title	COBALT DEFORMYLASE INHIBITOR COMPLEX FROM E.COLI
keywords	DEFORMYLASE, INHIBITOR, METALLOPROTEINASE, HYDROLASE; HYDROLASE
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	16.90 Å
rg_electron	15.82 Å
i0	7297070.00
molecular_weight	19528.0 kDa
excluded_volume	24423 Å³
envelope_volume	28086 Å³
shell_volume	14940 Å³
envelope_diameter	55.3 Å
shell_rg	21.79 Å
envelope_rg	16.26 Å
shape_rg	15.84 Å
total_rg	16.82 Å
total_atoms	1364
n_residues	166
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	54.9 Å
rg_real	16.82 Å
rg_real_error	0.35 Å
i0_real	7.2970e+06
i0_real_error	8.4210e+04
rg_reciprocal	16.83 Å
i0_reciprocal	7297000.0000
total_estimate	0.8051
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	21.7 Å
skewness	0.218
kurtosis	-0.309
angular_range	— – 0.4700 Å⁻¹
current_alpha	0.0000
highest_alpha	1580000.0000
n_real_points	77
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.821; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	PROTEIN (PEPTIDE DEFORMYLASE)
formula_weight	19226.2 kDa
ec_number	3.5.1.27
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1376

SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVIDVSENRDERLVLINPELLEKSGETGIEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLKARA

Entity 2 non-polymer

description	COBALT (II) ION
formula_weight	58.9 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-P-NITROANILIDE
formula_weight	445.4 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	12

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6. Citations (2)

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length_a	99.080 Å
length_b	99.080 Å
length_c	111.040 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 65 2 2
int_tables_number	179
crystal_system	—

resolution	3.000 Å
resolution_low	20.000 Å
r_factor	0.1680
r_work	0.1680
r_free	0.2070

fit	/app/data/saxs_computation/bs/1bsj/1bsj.fit
pddf	/app/data/pr_computation/bs/1bsj/1bsj.pr.out
profile	/app/data/saxs_computation/bs/1bsj/1bsj.dat

COBALT DEFORMYLASE INHIBITOR COMPLEX FROM E.COLI

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