6WGW

CYP101D1 D259E Hydroxycamphor bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-11-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1
Spacegroup name	P 64 2 2
Unit cell lengths	152.426, 152.426, 196.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.360 - 1.730
R-factor	0.1893
Rwork	0.189
R-free	0.21240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c9k
RMSD bond length	0.007
RMSD bond angle	0.971
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.360	1.792
High resolution limit [Å]	1.730	1.730
Number of reflections	278914	13748
<I/σ(I)>	19.46
Completeness [%]	100.0
Redundancy	2
CC(1/2)	0.999	0.453

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	298	1.6 M ammonium sulfate; 0.1 M Tris