5JS5

Nitric oxide complex of the L16F mutant of cytochrome c prime from Alcaligenes xylosoxidans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-10
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9
Spacegroup name	P 65 2 2
Unit cell lengths	53.207, 53.207, 181.390
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.080 - 1.700
R-factor	0.214
Rwork	0.212
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yli
RMSD bond length	0.017
RMSD bond angle	2.341
Data reduction software	XDS
Data scaling software	Aimless (0.5.15)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.080	46.080	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.059	0.031	0.832
Rmeas	0.065
Rpim	0.026
Total number of observations	109533
Number of reflections	17754
<I/σ(I)>	12.7
Completeness [%]	100.0	99.9	100
Redundancy	6.2	4.6	6.5
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	2.2M Ammonium sulfate 0.1M Hepes pH 7.5