6XVU

Bacteriophytochrome response regulator from Deinococcus radiodurans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-28
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.873127
Spacegroup name	P 41 21 2
Unit cell lengths	87.650, 87.650, 181.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.740 - 2.100
R-factor	0.1827
Rwork	0.181
R-free	0.21820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k68
RMSD bond length	0.013
RMSD bond angle	1.811
Data reduction software	XDS (Jan 26, 2018)
Data scaling software	XSCALE (Jan 26, 2018)
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.740	49.740	2.050
High resolution limit [Å]	2.000	10.000	2.000
Rmerge	0.169	0.048	4.119
Rmeas	0.172	0.049	4.208
Total number of observations	1424907
Number of reflections	48536	475	3376
<I/σ(I)>	12.01	41.44	0.63
Completeness [%]	100.0	99	100
Redundancy	29.358	23.985	24.078
CC(1/2)	0.999	0.999	0.256

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M HEPES pH 7.5, 0.3 M CaCl2, 25% PEG400