4UTL

XenA - reduced - Y183F variant in complex with coumarin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY
Synchrotron site	BESSY
Temperature [K]	100
Spacegroup name	I 2 2 2
Unit cell lengths	57.812, 83.525, 157.331
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.887 - 1.229
R-factor	0.1209
Rwork	0.121
R-free	0.14170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l5l
RMSD bond length	0.009
RMSD bond angle	1.318
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall
Low resolution limit [Å]	36.890
High resolution limit [Å]	1.230
Rmerge	0.050
Number of reflections	110002
<I/σ(I)>	14.94
Completeness [%]	99.4
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1