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1b1b

IRON DEPENDENT REGULATOR

Method: X-RAY DIFFRACTION D_max: 51.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b1b
deposition_date	1998-11-19
title	IRON DEPENDENT REGULATOR
keywords	IDER, IRON DEPEDENT REGULATOR, MYCOBACTERIUM TUBERCULOSIS, METAL BINDING PROTEIN; METAL BINDING PROTEIN
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	15.78 Å
rg_electron	15.02 Å
i0	5007540.00
molecular_weight	15459.0 kDa
excluded_volume	19064 Å³
envelope_volume	21127 Å³
shell_volume	12230 Å³
envelope_diameter	50.3 Å
shell_rg	20.38 Å
envelope_rg	15.29 Å
shape_rg	15.06 Å
total_rg	15.87 Å
total_atoms	1307
n_residues	140
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	51.7 Å
rg_real	15.76 Å
rg_real_error	0.28 Å
i0_real	5.0080e+06
i0_real_error	5.8790e+04
rg_reciprocal	15.76 Å
i0_reciprocal	5008000.0000
total_estimate	0.8849
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	19.0 Å
skewness	0.318
kurtosis	-0.291
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	850700.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.836; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.997

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (IRON DEPENDENT REGULATOR)
formula_weight	15902.2 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1571

MNELVDTTEMYLRTIYDLEEEGVTPLRARIAERLDQSGPTVSQTVSRMERDGLLRVAGDRHLELTEKGRALAIAVMRKHRLAERLLVDVIGLPWEEVHAEACRWEHVMSEDVERRLVKVLNNPTTSPFGNPIPGLVELGV

Source

organism	Mycobacterium tuberculosis
ncbi_taxonomy_id	1773
host_organism	Escherichia coli

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	88

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6. Citations (1)

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length_a	92.600 Å
length_b	92.600 Å
length_c	63.200 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 62
int_tables_number	171
crystal_system	—

resolution	2.600 Å
resolution_low	8.000 Å
r_factor	0.2800
r_work	0.2800
r_free	0.3600

fit	/app/data/saxs_computation/b1/1b1b/1b1b.fit
pddf	/app/data/pr_computation/b1/1b1b/1b1b.pr.out
profile	/app/data/saxs_computation/b1/1b1b/1b1b.dat

IRON DEPENDENT REGULATOR

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