6A7I

CYP154C4 from Streptomyces sp. W2061

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	200
Detector technology	CCD
Collection date	2017-05-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	I 21 21 21
Unit cell lengths	83.755, 115.032, 127.807
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.470 - 2.190
R-factor	0.17537
Rwork	0.173
R-free	0.22234
RMSD bond length	0.019
RMSD bond angle	2.002
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.190	2.190
Rmerge	0.087	0.445
Number of reflections	31349	1506
<I/σ(I)>	42.9
Completeness [%]	98.0
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	25% (w/v) PEG3350, 0.2 M lithium sulfate, and 0.1 M Bis-Tris:HCl pH 6.5