3L66

Xenobiotic Reductase A - C25A Variant with Coumarin

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	RAYONIX MX-225
Wavelength(s)	0.92
Spacegroup name	I 2 2 2
Unit cell lengths	57.771, 83.618, 157.172
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.110 - 1.280
R-factor	0.1349
Rwork	0.133
R-free	0.16440
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3l65
RMSD bond length	0.012
RMSD bond angle	1.419
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall
Low resolution limit [Å]	33.110
High resolution limit [Å]	1.280
Number of reflections	96595
Completeness [%]	98.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	1.5M Ammonium sulfate, 100mM Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K