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1b3q

CRYSTAL STRUCTURE OF CHEA-289, A SIGNAL TRANSDUCING HISTIDINE KINASE

Method: X-RAY DIFFRACTION D_max: 122.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b3q
deposition_date	1998-12-14
title	CRYSTAL STRUCTURE OF CHEA-289, A SIGNAL TRANSDUCING HISTIDINE KINASE
keywords	HISTINE KINASE, SIGNAL TRANSDUCTION, CHEMOTAXIS, MULTI-DOMAINS PROTEIN, TRANSFERASE; TRANSFERASE
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	36.47 Å
rg_electron	36.18 Å
i0	101626000.00
molecular_weight	82841.0 kDa
excluded_volume	104890 Å³
envelope_volume	143730 Å³
shell_volume	35061 Å³
envelope_diameter	121.9 Å
shell_rg	39.33 Å
envelope_rg	36.27 Å
shape_rg	36.23 Å
total_rg	36.24 Å
total_atoms	5789
n_residues	738
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	122.1 Å
rg_real	36.64 Å
rg_real_error	1.25 Å
i0_real	1.0160e+08
i0_real_error	1.8690e+06
rg_reciprocal	36.54 Å
i0_reciprocal	101600000.0000
total_estimate	0.8744
solution_quality	GOOD a GOOD solution
n_peaks	0
r_peak_primary	— Å
skewness	0.377
kurtosis	-0.551
angular_range	— – 0.2150 Å⁻¹
current_alpha	0.0000
highest_alpha	13670000.0000
n_real_points	44
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.887; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.826; Smooth: 0.877

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PROTEIN (CHEMOTAXIS PROTEIN CHEA)
formula_weight	42464.3 kDa
ec_number	2.7.3.-
mutation	Q545C, I521M, S522G
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	5976

SQTVRVDIEKLDNLMDLMGELVIARSRILETLKKYNIKELDESLSHLSRITLDLQNVVMKIRMVPISFVFNRFPRMVRDLAKKMNKEVNFIMRGEDTELDRTFVEEIGEPLLHLLRNAIDHGIEPKEERIAKGKPPIGTLILSARHEGNNVVIEVEDDGRGIDKEKIIRKAIEKGLIDESKAATLSDQEILNFLFVPGFSTKEKVSEVSGRGVGMDVVKNVVESLNGSMGIESEKDKGTKVTIRLPLTLAIICALLVKVNNLVYAIPIANIDTILSISKEDIQRVQDRDVIVIRGEVIPVYRLWEVLQIEHKEELEEMEAVIVRVGNRKYGIVVDDLLGQDDIVIKSLGKVFSEVKEFSGAAILGDGSIALIINVSGIV

Source

organism	Thermotoga maritima
ncbi_taxonomy_id	2336
host_organism	Escherichia coli BL21

Entity 2 non-polymer

description	MERCURY (II) ION
formula_weight	200.6 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	187

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6. Citations (1)

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length_a	61.800 Å
length_b	126.500 Å
length_c	75.100 Å
angle_alpha	90.00 °
angle_beta	95.60 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.600 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.2130
r_free	0.2850

fit	/app/data/saxs_computation/b3/1b3q/1b3q.fit
pddf	/app/data/pr_computation/b3/1b3q/1b3q.pr.out
profile	/app/data/saxs_computation/b3/1b3q/1b3q.dat

CRYSTAL STRUCTURE OF CHEA-289, A SIGNAL TRANSDUCING HISTIDINE KINASE

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