PDB 1sig experiment details and validation ‹ Protein Data Bank in Europe (PDBe) ‹ EMBL-EBI

X-ray diffraction

Source organism: Escherichia coli K-12

Resolution: 2.6Å

Reported R values:

R R_free R_work

0.21 0.31 0.21

Entry percentile scores

X-ray diffraction

Sample information

Author description:

CRYSTAL STRUCTURE OF A SIGMA70 SUBUNIT FRAGMENT FROM ESCHERICHIA COLI RNA POLYMERASE

Source organism:

Escherichia coli K-12

Expression system:

Escherichia coli BL21(DE3)

Validation information

Metric	Description
Bond angles in protein, DNA, RNA molecules	1 outlier(s) of 3382 (%)
Bond lengths in protein, DNA, RNA molecules	0 outlier(s) of 2516 (%)
Electron density fit in protein, DNA, RNA molecules	6 outlier(s) of 305 (%)
Ramachandran outliers in protein molecules	2 outlier(s) of 297 (%)
Sidechain rotamer outliers in protein molecules	20 outlier(s) of 268 (%)

Experimental information

X-ray source:

NSLS BEAMLINE X4A

Dataset statistics

Metric	Value	Source
Cell dimensions	a: 79.229 Å b: 79.229 Å c: 134.06 Å α: 90° β: 90° γ: 90°	Depositor
Number of reflections	11374	Xtriage(Phenix)
Data completeness	90.9%	EDS
EDS resolution	2.6Å - 6Å	EDS
Twinning statistics	<\|L\|> = 0.43 , <L²> = 0.25	Xtriage(Phenix)
Spacegroup	P 4₁ 2₁ 2	Depositor
Possible (pseudo-) translation	The largest off-origin peak in the Patterson function is 5.72% of the height of the origin peak. No significant pseudotranslation is detected.	Xtriage(Phenix)
Wilson B	52 Å²	Xtriage(Phenix)

Refinement statistics

Metric	Value	Source
Refinement software	CNS	DCC
Bulk solvent B	73 Å²	EDS
Bulk solvent k	0.25 e^-/Å³	EDS
Fo-Fc correlation	0.911	EDS
R value (DCC)	0.2225	DCC
R value (EDS)	0.241	EDS

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