5G3D

preserving Metallic Sites Affected by Radiation Damage the CuT2 cCase in Thermus Thermophilus Multicopper Oxidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	287
Detector technology	PIXEL
Detector	DECTRIS PIXEL
Spacegroup name	C 2 2 21
Unit cell lengths	93.744, 110.332, 96.484
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.700 - 1.780
R-factor	0.1458
Rwork	0.144
R-free	0.18100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yae
RMSD bond length	0.008
RMSD bond angle	1.110
Data reduction software	XDS
Phasing software	REFMAC
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.720	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.080	0.050
Number of reflections	54103
Completeness [%]	98.2	97
Redundancy	6.3	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1