4C9K

Structure of Camphor and Hydroxycamphor bound wild type CYP101D1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-30
Detector	ADSC QUANTUM 315r
Spacegroup name	P 64 2 2
Unit cell lengths	151.318, 151.318, 196.141
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.530 - 2.180
R-factor	0.1775
Rwork	0.175
R-free	0.21810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lxi
RMSD bond length	0.007
RMSD bond angle	1.155
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.200	2.300
High resolution limit [Å]	2.180	2.180
Rmerge	0.080	0.490
Number of reflections	69832
<I/σ(I)>	28.4	7
Completeness [%]	99.9	99.2
Redundancy	14.2	14.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.2		100MM TRIS PH 8.2, 1.6M AMMONIUM SULPHATE