6W6N

K106L/A131E mutant of cytochrome P460 from Nitrosomonas sp. AL212

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	47.373, 80.172, 110.767
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.383 - 2.250
R-factor	0.2596
Rwork	0.258
R-free	0.27750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6amg
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.14_3260)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	110.770	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.151	1.824
Number of reflections	20467	1756
<I/σ(I)>	7.66	0.99
Completeness [%]	98.1	86.45
Redundancy	6.5	6
CC(1/2)	0.995	0.518

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	Protein in 50 mM MOPS pH 8.0 PEG 6000, 0.1 M sodium acetate pH 5.0, and 0.2 M NaCl