PDB 3hje experiment details and validation ‹ Protein Data Bank in Europe (PDBe) ‹ EMBL-EBI

X-ray diffraction

Source organism: Sulfurisphaera tokodaii str. 7

Resolution: 1.9Å

Reported R values:

R R_free R_work

0.17 0.2 0.17

Entry percentile scores

X-ray diffraction

Sample information

Author description:

Crystal structure of sulfolobus tokodaii hypothetical maltooligosyl trehalose synthase

Source organism:

Sulfurisphaera tokodaii str. 7

Expression system:

Escherichia coli

Validation information

Metric	Description
Bond angles in protein, DNA, RNA molecules	0 outlier(s) of 8405 (%)
Bond lengths in protein, DNA, RNA molecules	0 outlier(s) of 6241 (%)
Electron density fit in protein, DNA, RNA molecules	26 outlier(s) of 728 (%)
Ramachandran outliers in protein molecules	1 outlier(s) of 725 (%)
Sidechain rotamer outliers in protein molecules	6 outlier(s) of 678 (%)

Experimental information

X-ray source:

RIGAKU FR-E SUPERBRIGHT

Dataset statistics

Metric	Value	Source
Cell dimensions	a: 63.992 Å b: 86.1 Å c: 70.13 Å α: 90° β: 95.43° γ: 90°	Depositor
Outlier reflections	Acentric: 1 , Centric: 1	Xtriage(Phenix)
Number of reflections	59594	Xtriage(Phenix)
Test set size	5.06%	EDS
Data completeness	99.4%	EDS
EDS resolution	1.9Å - 19.94Å	EDS
<I/σ(I)>	4.9	Xtriage(Phenix)
Twinning statistics	<\|L\|> = 0.49 , <L²> = 0.32	Xtriage(Phenix)
Spacegroup	P 1 2₁ 1	Depositor
Possible (pseudo-) translation	The largest off-origin peak in the Patterson function is 5.91% of the height of the origin peak. No significant pseudotranslation is detected.	Xtriage(Phenix)
Wilson B	22 Å²	Xtriage(Phenix)

Refinement statistics

Metric	Value	Source
Refinement software	REFMAC	DCC
Bulk solvent B	55 Å²	EDS
Bulk solvent k	0.36 e^-/Å³	EDS
Fo-Fc correlation	0.961	EDS
R value (DCC)	0.1697	DCC
R_free (DCC)	0.2053	DCC
R value (EDS)	0.1695	EDS

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3hje @ RCSB
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