8F91

OxyB, a cytochrome P450 involved in keratinimicin biosynthesis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2022-02-06
Detector	RAYONIX MX-300
Wavelength(s)	0.9787
Spacegroup name	I 4 3 2
Unit cell lengths	179.050, 179.050, 179.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.620 - 2.800
R-factor	0.244
Rwork	0.242
R-free	0.28350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ex6
RMSD bond length	0.010
RMSD bond angle	1.186
Data reduction software	MOSFLM (7.4.0)
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER (1.13-2998-000)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.620	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.018	0.214
Rmeas	0.025	0.302
Rpim	0.018	0.214
Number of reflections	12403	1208
<I/σ(I)>	20.95	3.21
Completeness [%]	100.0	100
Redundancy	2	2
CC(1/2)	1.000	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	1.8 ammonium citrate tribasic, pH 7