6T3L

PAS-GAF fragment from Deinococcus radiodurans phytochrome in dark state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL3
Synchrotron site	SACLA
Beamline	BL3
Temperature [K]	298
Detector technology	CCD
Collection date	2018-10-12
Detector	MPCCD
Wavelength(s)	1.7712
Spacegroup name	P 21 21 21
Unit cell lengths	54.980, 116.690, 117.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.820 - 2.070
R-factor	0.1627
Rwork	0.161
R-free	0.19220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5k5b
RMSD bond length	0.007
RMSD bond angle	1.252
Data reduction software	CrystFEL
Data scaling software	CrystFEL (0.6.3)
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.870	2.100
High resolution limit [Å]	2.070	2.070
Number of reflections	52060	2052
<I/σ(I)>	9.21	0.83
Completeness [%]	100.0	100
Redundancy	461.35	65.9
CC(1/2)	0.990	0.330

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	4.95	298	60 mM Sodium Acetate, 3.3% PEG400, 1 mM DTT, 30% 2-methyl-2,4-pentanediol