PDB 2f1k experiment details and validation ‹ Protein Data Bank in Europe (PDBe) ‹ EMBL-EBI

X-ray diffraction

Source organism: Synechocystis sp. PCC 6803

Resolution: 1.55Å

Reported R values:

R R_free R_work

0.19 0.22 0.18

Entry percentile scores

X-ray diffraction

Sample information

Author description:

Crystal structure of Synechocystis arogenate dehydrogenase

Source organism:

Synechocystis sp. PCC 6803

Expression system:

Escherichia coli

Validation information

Metric	Description
Bond angles in protein, DNA, RNA molecules	8 outlier(s) of 11892 (%)
Bond lengths in protein, DNA, RNA molecules	8 outlier(s) of 8763 (%)
Electron density fit in protein, DNA, RNA molecules	98 outlier(s) of 1132 (%)
Ramachandran outliers in protein molecules	4 outlier(s) of 1124 (%)
Sidechain rotamer outliers in protein molecules	32 outlier(s) of 930 (%)

Experimental information

X-ray source:

ESRF BEAMLINE ID14-4, null

Dataset statistics

Metric	Value	Source
Cell dimensions	a: 66.15 Å b: 70.85 Å c: 104.49 Å α: 90° β: 90.3° γ: 90°	Depositor
Number of reflections	138618	Xtriage(Phenix)
Test set size	5.02%	EDS
Data completeness	99%	EDS
EDS resolution	1.55Å - 29.94Å	EDS
<I/σ(I)>	2.3	Xtriage(Phenix)
Twinning statistics	<\|L\|> = 0.47 , <L²> = 0.3	Xtriage(Phenix)
Spacegroup	P 1 2₁ 1	Depositor
Possible (pseudo-) translation	The largest off-origin peak in the Patterson function is 5.31% of the height of the origin peak. No significant pseudotranslation is detected.	Xtriage(Phenix)
Wilson B	18 Å²	Xtriage(Phenix)

Refinement statistics

Metric	Value	Source
Refinement software	REFMAC	DCC
Bulk solvent B	47 Å²	EDS
Bulk solvent k	0.35 e^-/Å³	EDS
Fo-Fc correlation	0.956	EDS
R value (DCC)	0.19	DCC
R_free (DCC)	0.19	DCC
R value (EDS)	0.21	EDS

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2f1k @ RCSB
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