5K5B

Wild-type PAS-GAF fragment from Deinococcus radiodurans BphP

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	2014-11-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.972957
Spacegroup name	C 1 2 1
Unit cell lengths	93.760, 54.280, 70.150
Unit cell angles	90.00, 92.20, 90.00

Refinement procedure

Resolution	39.370 - 1.350
R-factor	0.1422
Rwork	0.141
R-free	0.17090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4q0h
RMSD bond length	0.010
RMSD bond angle	1.506
Data reduction software	XDS
Data scaling software	XSCALE (Oct 15, 2015)
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.970		1.380
High resolution limit [Å]	1.350	15.000	1.350
Rmerge	0.036	0.036	0.560
Number of reflections	75872
<I/σ(I)>	18.37	48.35	2.31
Completeness [%]	98.1	89.7	95.7
Redundancy	4.36		4.23
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.95	293	sodium acetate, PEG 400, DTT, 2-methyl-2, 4-pentanediol