5MG1

Structure of the photosensory module of Deinococcus phytochrome by serial femtosecond X-ray crystallography

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE MFX
Synchrotron site	SLAC LCLS
Beamline	MFX
Temperature [K]	298
Detector technology	CCD
Collection date	2015-10-31
Detector	RAYONIX MX170-HS
Wavelength(s)	1.305
Spacegroup name	P 64 2 2
Unit cell lengths	151.700, 151.700, 151.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.894 - 3.300
R-factor	0.2135
Rwork	0.212
R-free	0.24470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PAS-GAF from PDB 2O9C and PHY domain from 4Q0J
RMSD bond length	0.002
RMSD bond angle	0.562
Data reduction software	cctbx.prime
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	131.376	131.376	3.357
High resolution limit [Å]	3.300	8.958	3.300
Number of reflections	15996
<I/σ(I)>	29.234	137.319	4.069
Completeness [%]	99.9	97.82	99.87
Redundancy	39.16	66.96	20.75
CC(1/2)	0.863	0.833	0.178

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.5	298	PEG 3350, Tacsimate pH 6.0, Tacsimate pH 7.0, ethylene glycol, PIPES-NaOH pH 6.5