4CSO

The structure of OrfY from Thermoproteus tenax

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	C 2 2 21
Unit cell lengths	97.318, 101.472, 170.784
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.988 - 2.600
R-factor	0.1907
Rwork	0.188
R-free	0.23570
Structure solution method	MIRAS
Starting model (for MR)	NONE
RMSD bond length	0.015
RMSD bond angle	1.460
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHARP
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.980	2.750
High resolution limit [Å]	2.600	2.600
Rmerge	0.120	1.100
Number of reflections	26330
<I/σ(I)>	11.03	1.55
Completeness [%]	99.4	96.7
Redundancy	4.1	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		pH 6.5