4UTI

XenA - oxidized - Y183F variant in complex with coumarin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY
Synchrotron site	BESSY
Beamline	BL14-1
Temperature [K]	100
Spacegroup name	I 2 2 2
Unit cell lengths	57.870, 83.397, 156.366
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.729 - 1.099
R-factor	0.1251
Rwork	0.125
R-free	0.14100
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.010
RMSD bond angle	1.382
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall
Low resolution limit [Å]	38.730
High resolution limit [Å]	1.100
Rmerge	0.060
Number of reflections	151912
<I/σ(I)>	2.56
Completeness [%]	99.0
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1