4UTJ

XenA - oxidized - Y183F variant in complex with 8-hydroxycoumarin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	I 2 2 2
Unit cell lengths	57.980, 83.360, 156.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.280 - 1.070
R-factor	0.1254
Rwork	0.125
R-free	0.13960
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.010
RMSD bond angle	1.394
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.280	1.110
High resolution limit [Å]	1.070	1.070
Rmerge	0.050	0.540
Number of reflections	165296
<I/σ(I)>		2.54
Completeness [%]	99.5	99.59
Redundancy	4	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1