4UTM

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	I 2 2 2
Unit cell lengths	57.472, 83.396, 156.548
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.147 - 1.090
R-factor	0.12
Rwork	0.120
R-free	0.13620
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.010
RMSD bond angle	1.428
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.150	1.130
High resolution limit [Å]	1.090	1.090
Rmerge	0.040	0.350
Number of reflections	155156
<I/σ(I)>		2.74
Completeness [%]	99.4	96.86
Redundancy	3.5	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1