5JT4

L16A mutant of cytochrome c prime from Alcaligenes xylosoxidans: Ferrous state

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	2015-10-02
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9
Spacegroup name	P 65 2 2
Unit cell lengths	53.532, 53.532, 180.938
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 1.250
Rwork	0.149
R-free	0.19120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yli
RMSD bond length	0.013
RMSD bond angle	299.000
Data reduction software	XDS
Data scaling software	Aimless (0.5.15)
Phasing software	PHASER
Refinement software	SHELXL (97)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.880	1.270
High resolution limit [Å]	1.250	1.250
Rmerge	0.037	0.884
Number of reflections	42926
<I/σ(I)>	22.8	2.3
Completeness [%]	98.9	95.9
Redundancy	6.3	6.2
CC(1/2)	1.000

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