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1a8z

;STRUCTURE DETERMINATION OF A 16.8KDA COPPER PROTEIN RUSTICYANIN AT 2.1A RESOLUTION USING ANOMALOUS SCATTERING DATA WITH DIRECT METHODS ;

Method: X-RAY DIFFRACTION D_max: 48.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a8z
deposition_date	1998-03-30
title	;STRUCTURE DETERMINATION OF A 16.8KDA COPPER PROTEIN RUSTICYANIN AT 2.1A RESOLUTION USING ANOMALOUS SCATTERING DATA WITH DIRECT METHODS ;
keywords	DIRECT METHODS, SAS, MEDIUM RESOLUTION, METALLOPROTEIN, COPPER PROTEIN, ELECTRON TRANSPORT; ELECTRON TRANSPORT
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	15.31 Å
rg_electron	14.25 Å
i0	4762310.00
molecular_weight	16456.0 kDa
excluded_volume	20905 Å³
envelope_volume	22563 Å³
shell_volume	13276 Å³
envelope_diameter	47.4 Å
shell_rg	20.19 Å
envelope_rg	14.56 Å
shape_rg	14.20 Å
total_rg	15.59 Å
total_atoms	1161
n_residues	153
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	48.2 Å
rg_real	15.19 Å
rg_real_error	0.27 Å
i0_real	4.7620e+06
i0_real_error	5.5840e+04
rg_reciprocal	15.20 Å
i0_reciprocal	4762000.0000
total_estimate	0.8896
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	20.8 Å
skewness	0.093
kurtosis	-0.378
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	1025000.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.862; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.985

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (10)

Structure determination of a 16.8 kDa copper protein at 2.1 A resolution using anomalous scattering data with direct methods.

Acta Crystallogr.,Sect.D (1998)

PMID: 9761859 · DOI: 10.1107/S0907444998005423 PRIMARY

;Multiple Wavelength Anomalous Diffraction (MAD) Crystal Structure of Rusticyanin: A Highly Oxidizing Cupredoxin with Extreme Acid Stability ;

J.Mol.Biol. (1996)

Complete 13C Assignments for Recombinant Cu(I) Rusticyanin. Prediction of Secondary Structure from Patterns of Chemical Shifts

FEBS Lett. (1995)

;X-Ray Absorption Studies and Homology Modeling Define the Structural Features that Specify the Nature of the Copper Site in Rusticyanin ;

Biochemistry (1995)

Crystallization and Preliminary X-Ray Crystallographic Studies of Rusticyanin from Thiobacillus Ferrooxidans

J.Mol.Biol. (1992)

Amino Acid Sequence of the Blue Copper Protein Rusticyanin from Thiobacillus Ferrooxidans

Biochemistry (1991)

Copper Protein Structures

Adv.Protein Chem. (1991)

;The Purification and Some Properties of Rusticyanin, a Blue Copper Protein Involved in Iron(II) Oxidation from Thiobacillus Ferro-Oxidans ;

Biochem.J. (1978)

;The Respiratory Chain of Thiobacillus Ferrooxidans: The Reduction of Cytochromes by Fe2+ and the Preliminary Characterization of Rusticyanin a Novel "Blue" Copper Protein ;

FEBS Lett. (1975)

Oasis-A Computer Program for Breaking the Phase Ambiguity in Oas or Sir Protein Data

To be Published

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length_a	32.430 Å
length_b	60.680 Å
length_c	38.010 Å
angle_alpha	90.00 °
angle_beta	107.82 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.100 Å
resolution_low	8.000 Å
r_factor	0.1870
r_work	0.1870
r_free	0.2190

description	RUSTICYANIN
formula_weight	16408.7 kDa
src_method	nat
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	1218

;STRUCTURE DETERMINATION OF A 16.8KDA COPPER PROTEIN RUSTICYANIN AT 2.1A RESOLUTION USING ANOMALOUS SCATTERING DATA WITH DIRECT METHODS ;

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

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Entity 2 non-polymer

Entity 3 water

6. Citations (10)

7. Files & Curves (10)

Files (7)

Curves (3)

description	COPPER (I) ION
formula_weight	63.5 kDa
src_method	syn
entity_count	1

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	57

fit	/app/data/saxs_computation/a8/1a8z/1a8z.fit
pddf	/app/data/pr_computation/a8/1a8z/1a8z.pr.out
profile	/app/data/saxs_computation/a8/1a8z/1a8z.dat