6G20

Crystal structure of a fluorescence optimized bathy phytochrome PAiRFP2 derived from wild-type Agp2 in its functional Meta-F intermediate state.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9724
Spacegroup name	P 63 2 2
Unit cell lengths	183.114, 183.114, 179.655
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	158.580 - 2.160
R-factor	0.2102
Rwork	0.209
R-free	0.23225
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6g1z
RMSD bond length	0.011
RMSD bond angle	1.468
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.790	2.280
High resolution limit [Å]	2.160	2.160
Rpim	0.031	0.409
Number of reflections	95000	13679
<I/σ(I)>	18.3	1.9
Completeness [%]	100.0	100
Redundancy	20	20
CC(1/2)	0.999	0.672

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		279	(NH4)2SO4, VAPOR DIFFUSION, TEMPERATURE 279K