4RJV

Crystal Structure of a De Novo Designed Ferredoxin Fold, Northeast Structural Genomics Consortium (NESG) Target OR461

PDB DOI: https://doi.org/10.2210/pdb4RJV/pdb

Classification: DE NOVO PROTEIN
Organism(s): synthetic construct
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2014-10-09 Released: 2014-10-22
Deposition Author(s): O'Connell, P.T., Lin, Y.-R., Guan, R., Koga, N., Koga, R., Seetharaman, J., Janjua, H., Xiao, R., Maglaqui, M., Everett, J.K., Acton, T.B., Baker, D., Montelione, G.T., Northeast Structural Genomics Consortium (NESG)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.52 Å
R-Value Free: 0.231
R-Value Work: 0.199
R-Value Observed: 0.200

wwPDB Validation 3D Report Full Report

This is version 1.1 of the entry. See complete history.

Literature

Northeast Structural Genomics Consortium Target OR461

O'Connell, P.T., Lin, Y.-R., Guan, R., Koga, N., Koga, R., Seetharaman, J., Janjua, H., Xiao, R., Maglaqui, M., Everett, J.K., Acton, T.B., Baker, D., Montelione, G.T., Northeast Structural Genomics Consortium (NESG)

To be published.

Macromolecule Content

Total Structure Weight: 39.81 kDa
Atom Count: 2,758
Modelled Residue Count: 325
Deposited Residue Count: 348
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
OR461	A, B, C, D	87	synthetic construct	Mutation(s): 0
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
Sequence Annotations Expand
Reference Sequence

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 1.52 Å
R-Value Free: 0.231
R-Value Work: 0.199
R-Value Observed: 0.200
Space Group: P 1

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 37.666	α = 86.49
b = 46.688	β = 72.89
c = 48.066	γ = 72.33

Software Package:

Software Name	Purpose
AMoRE	phasing
RESOLVE	phasing
PHENIX	refinement
PDB_EXTRACT	data extraction
HKL-2000	data collection
HKL-2000	data reduction
HKL-2000	data scaling
PHASER	phasing

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 2014-10-22

Deposition Author(s):

O'Connell, P.T.

Seetharaman, J.

Montelione, G.T.

Northeast Structural Genomics Consortium (NESG)

Revision History (Full details and data files)

Version 1.0: 2014-10-22
Type: Initial release
Version 1.1: 2023-09-20
Changes: Data collection, Database references, Refinement description

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.