8RJU

Serial femtosecond X-ray structure of a fluorescence optimized bathy phytochrome PAiRFP2 derived from wild-type Agp2 in I7 intermediate state.

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	2018-05-12
Detector	RAYONIX MX170-HS
Wavelength(s)	1.31196
Spacegroup name	P 63 2 2
Unit cell lengths	182.900, 182.900, 180.841
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.770 - 2.800
R-factor	0.27795
Rwork	0.276
R-free	0.31956
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.262
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.770	2.870
High resolution limit [Å]	2.800	2.800
Number of reflections	44427	3088
<I/σ(I)>	17.6
Completeness [%]	100.0
Redundancy	890.5
CC(1/2)	0.928	0.205

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		279	1.0 - 2.2 M ammonium sulphate, 2 - 12% PEG 1000, 0.1 M HEPES pH 6.8 - 7.7, 0.025% low-melt agarose