5NGX

The 1.06 A resolution structure of the L16G mutant of ferric cytochrome c prime from Alcaligenes xylosoxidans, complexed with nitrite

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9282
Spacegroup name	P 65 2 2
Unit cell lengths	53.910, 53.910, 183.210
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.240 - 1.060
R-factor	0.1787
Rwork	0.178
R-free	0.20005
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yl7
RMSD bond length	0.016
RMSD bond angle	2.179
Data reduction software	xia2 (0.5.179-gfd2bada8-dials-1.4)
Data scaling software	Aimless (0.5.31)
Phasing software	REFMAC (5.8.0158)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.240	1.080
High resolution limit [Å]	1.060	1.060
Rmerge	0.063
Rpim	0.023	0.493
Number of reflections	70168	3511
<I/σ(I)>	13.1
Completeness [%]	96.8	99
Redundancy	7.7	5.1
CC(1/2)	1.000	0.587

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	50 mM sodium nitrite, 2.2 M ammonium sulphate and 0.1 M HEPES, pH 7.5