5MG0

Structure of PAS-GAF fragment of Deinococcus phytochrome by serial femtosecond 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	2016-09-30
Detector	RAYONIX MX170-HS
Wavelength(s)	1.265
Spacegroup name	C 1 2 1
Unit cell lengths	90.535, 53.385, 80.912
Unit cell angles	90.00, 116.32, 90.00

Refinement procedure

Resolution	32.243 - 1.650
R-factor	0.1737
Rwork	0.172
R-free	0.20260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 2O9C lacking the bilin and all neighboring side chains
RMSD bond length	0.006
RMSD bond angle	0.954
Data reduction software	cctbx.prime
Data scaling software	cctbx.prime
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	72.500	72.524	1.709
High resolution limit [Å]	1.650	3.555	1.650
Number of reflections	41877
<I/σ(I)>	62.83	371.677	2.414
Completeness [%]	100.0	99.81	99.93
Redundancy	72.62	195.78	17.05
CC(1/2)	0.968	0.950	0.087

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	5.6	298	PEG 3350, isopropanol, glycerol, sodium citrate