4O01

Crystal Structure of D. radiodurans Bacteriophytochrome Photosensory Core Module in its Illuminated Form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-06-28
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.98043
Spacegroup name	P 21 21 21
Unit cell lengths	86.900, 195.700, 225.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.220 - 3.240
R-factor	0.234
Rwork	0.233
R-free	0.25972
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2o9c
RMSD bond length	0.005
RMSD bond angle	1.159
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.220		3.320
High resolution limit [Å]	3.240	15.000	3.240
Rmerge	0.241	0.105	4.390
Number of reflections	61928
<I/σ(I)>	9.69	27.21	0.83
Completeness [%]	99.9	95.8	100
Redundancy	19.31	16.5	20.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	0.1M Tris, 0.2M NaCl, 25% PEG 3350, sequential 655nm illumination, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K