6T3U

PAS-GAF fragment from Deinococcus radiodurans phytochrome 1ps after photoexcitation

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	36.940 - 2.210
R-factor	0.2317
Rwork	0.230
R-free	0.25620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5k5b
RMSD bond length	0.006
RMSD bond angle	1.152
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]	41.460	2.250
High resolution limit [Å]	2.210	2.210
Number of reflections	39316	1512
<I/σ(I)>	6.1	0.88
Completeness [%]	100.0	100
Redundancy	106.11	34.3
CC(1/2)	0.980	0.380

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