9G8D

Crystal structure of the photosensory core module (PCM) of a cyano-phenylalanine mutant oCNF192 of the bathy phytochrome Agp2 from Agrobacterium fabrum in the Pfr state.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	74.644, 93.577, 173.945
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.830 - 2.059
R-factor	0.18776
Rwork	0.186
R-free	0.22409
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.326
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.830	2.110
High resolution limit [Å]	2.059	2.059
Number of reflections	75997	5170
<I/σ(I)>	6	1.5
Completeness [%]	99.9
Redundancy	6.5
CC(1/2)	0.857	0.201

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		279	30 - 40% MPD, 5 - 15% PEG 8000, 0.1 M MES pH 5.5 - 9.0