8Q5J

Cytochrome P450 monooxygenase from Streptomyces scabiei (SscaCYP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	93
Detector technology	PIXEL
Collection date	2023-03-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9999
Spacegroup name	P 21 21 2
Unit cell lengths	121.270, 46.890, 75.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.380 - 1.480
R-factor	0.16539
Rwork	0.164
R-free	0.18918
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.764
Data reduction software	xia2
Data scaling software	XSCALE
Phasing software	BALBES
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.380	6.620	1.520
High resolution limit [Å]	1.480	4.680	1.480
Rmerge	0.154	0.056	2.238
Rmeas	0.168	0.061	2.636
Number of reflections	139161	2819	10321
<I/σ(I)>	9.82
Completeness [%]	100.0
Redundancy	12.3
CC(1/2)	0.998	0.998	0.199

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	0.2 M magnesium formate dihydrate, 20% w/v polyethylene glycol 3,350