5JRA

Nitric oxide complex of the L16V 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	2012-10-03
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0
Spacegroup name	P 65 2 2
Unit cell lengths	53.199, 53.199, 180.679
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.070 - 1.380
R-factor	0.1637
Rwork	0.163
R-free	0.18580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yli
RMSD bond length	0.017
RMSD bond angle	2.366
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.072	46.072	1.450
High resolution limit [Å]	1.380	4.360	1.380
Rmerge		0.030	0.744
Number of reflections	32339
<I/σ(I)>	15.4	11.8	1
Completeness [%]	100.0	100	100
Redundancy	7.6	6.8	6.8

Crystallization Conditions

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