6A7J

Testerone bound CYP154C4 from Streptomyces sp. ATCC 11861

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	2017-03-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	I 21 21 21
Unit cell lengths	90.381, 113.940, 128.361
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.550 - 2.710
R-factor	0.21923
Rwork	0.217
R-free	0.26590
RMSD bond length	0.013
RMSD bond angle	1.766
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.080	0.419
Number of reflections	17614	872
<I/σ(I)>	31.9
Completeness [%]	96.5
Redundancy	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1 M sodium citrate tribasic and 0.1 M sodium cacodylate:HCl pH 6.5