6BAY

Stigmatella aurantiaca bacterial phytochrome P1, PAS-GAF-PHY T289H mutant, room temperature structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL3
Synchrotron site	SACLA
Beamline	BL3
Temperature [K]	293
Detector technology	CCD
Collection date	2016-12-09
Detector	MPCCD
Wavelength(s)	1.3
Spacegroup name	P 32 2 1
Unit cell lengths	84.230, 84.230, 477.990
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	53.799 - 3.150
R-factor	0.2248
Rwork	0.222
R-free	0.28190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bap
RMSD bond length	0.012
RMSD bond angle	1.594
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.800	3.200
High resolution limit [Å]	3.150	3.150
Rmerge	0.011
Number of reflections	52483	1956
<I/σ(I)>	4.76
Completeness [%]	100.0	100
Redundancy	399	107
CC(1/2)	0.998	0.506

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	289	11 mg/mL protein in 0.1 M MES, pH 6.2, 8-5% w/v PEG20000, 5.2% v/v acetonitrile