6E0Z

A131Q mutant of cyt P460 of 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	2018-06-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	48.031, 80.941, 120.598
Unit cell angles	90.00, 96.03, 90.00

Refinement procedure

Resolution	67.091 - 2.300
R-factor	0.2443
Rwork	0.242
R-free	0.29900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6amg
RMSD bond length	0.009
RMSD bond angle	1.057
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((dev_3126))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.091	2.382
High resolution limit [Å]	2.300	2.300
Rmerge	0.066	0.988
Number of reflections	39644	39644
<I/σ(I)>	28
Completeness [%]	96.7
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.2 M sodium chloride, 0.1M sodium acetate, PEG 6000