5UYR

Crystal structure of the dark-adapted full-length bacteriophytochrome XccBphP mutant D199A from Xanthomonas campestris

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9801
Spacegroup name	P 43 21 2
Unit cell lengths	103.860, 103.860, 342.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.270 - 3.450
R-factor	0.231
Rwork	0.230
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5akp
RMSD bond length	0.010
RMSD bond angle	1.190
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.940	3.690
High resolution limit [Å]	3.450	3.450
Rmerge	0.165	1.536
Rpim	0.048	0.459
Number of reflections	25772	4569
<I/σ(I)>	10.6	1.7
Completeness [%]	100.0	100
Redundancy	12.4	12
CC(1/2)	0.990	0.690

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	293	7%(W/V) PEG 4000 0.2 M SODIUM ACETATE 0.1 M TRIS