6FTD

Deinococcus radiodurans BphP PAS-GAF H290T mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-23
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.96770
Spacegroup name	C 1 2 1
Unit cell lengths	94.810, 53.030, 135.880
Unit cell angles	90.00, 93.30, 90.00

Refinement procedure

Resolution	47.330 - 1.400
R-factor	0.15046
Rwork	0.148
R-free	0.19816
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5k5b
RMSD bond length	0.028
RMSD bond angle	2.551
Data reduction software	XDS (March 1, 2015)
Data scaling software	XSCALE
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.330	1.440
High resolution limit [Å]	1.400	1.400
Rmerge	0.108	1.362
Rmeas	0.124	1.552
Number of reflections	132351	9607
<I/σ(I)>	7.48	0.93
Completeness [%]	99.7	99.5
Redundancy	4.25	4.26
CC(1/2)	0.997	0.336

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.95	297	67 mM Sodium acetate, 3.3 % PEG400, 1mM DTT, 30% 2-methyl-2,4-pentanediol