8RJR

Serial femtosecond X-ray structure of a fluorescence optimized bathy phytochrome PAiRFP2 derived from wild-type Agp2 in I4 intermediate state.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL2
Synchrotron site	SACLA
Beamline	BL2
Temperature [K]	298
Detector technology	CCD
Collection date	2019-02-19
Detector	MPCCD
Wavelength(s)	1.24052
Spacegroup name	P 63 2 2
Unit cell lengths	183.756, 183.756, 180.318
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	90.320 - 2.300
R-factor	0.24947
Rwork	0.249
R-free	0.28523
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.303
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]	90.320	2.360
High resolution limit [Å]	2.300	2.300
Number of reflections	79712	5648
<I/σ(I)>	13.5
Completeness [%]	100.0
Redundancy	506.8
CC(1/2)	0.984	0.012

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