PDB 1tj5 experiment details and validation ‹ Protein Data Bank in Europe (PDBe) ‹ EMBL-EBI

X-ray diffraction

Source organism: Synechocystis sp. PCC 6803

Resolution: 2.2Å

Reported R values:

R R_free R_work

0.18 0.22 0.18

Entry percentile scores

X-ray diffraction

Sample information

Author description:

X-Ray structure of the Sucrose-Phosphatase (SPP) from Synechocystis sp. PCC6803 in complex with sucrose and phosphate

Source organism:

Synechocystis sp. PCC 6803

Expression system:

Escherichia coli

Validation information

Metric	Description
Bond angles in protein, DNA, RNA molecules	1 outlier(s) of 2729 (%)
Bond lengths in protein, DNA, RNA molecules	2 outlier(s) of 2006 (%)
Electron density fit in protein, DNA, RNA molecules	2 outlier(s) of 244 (%)
Ramachandran outliers in protein molecules	1 outlier(s) of 242 (%)
Sidechain rotamer outliers in protein molecules	6 outlier(s) of 206 (%)

Experimental information

X-ray source:

ESRF BEAMLINE ID29

Dataset statistics

Metric	Value	Source
Cell dimensions	a: 68.75 Å b: 68.75 Å c: 268.38 Å α: 90° β: 90° γ: 120°	Depositor
Number of reflections	19891	Xtriage(Phenix)
Test set size	5%	EDS
Data completeness	99%	EDS
EDS resolution	2.2Å - 44.53Å	EDS
<I/σ(I)>	4.7	Xtriage(Phenix)
Twinning statistics	<\|L\|> = 0.49 , <L²> = 0.32	Xtriage(Phenix)
Spacegroup	P 6₅ 2 2	Depositor
Possible (pseudo-) translation	The largest off-origin peak in the Patterson function is 6.07% 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	PHENIX	DCC
Bulk solvent B	47 Å²	EDS
Bulk solvent k	0.37 e^-/Å³	EDS
Fo-Fc correlation	0.937	EDS
R value (DCC)	0.1962	DCC
R_free (DCC)	0.1952	DCC
R value (EDS)	0.1934	EDS

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