6EZ1

Structure of h. salinarum RosR (vng0258) grown from NaBr

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-15
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91908
Spacegroup name	P 1 21 1
Unit cell lengths	40.884, 71.139, 41.719
Unit cell angles	90.00, 110.33, 90.00

Refinement procedure

Resolution	34.278 - 1.750
R-factor	0.172098550035
Rwork	0.170
R-free	0.20901
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SAD derived model in NaCl
RMSD bond length	0.003
RMSD bond angle	0.590
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (refmac5 version 5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.120	1.790
High resolution limit [Å]	1.750	1.750
Rmerge	0.112	0.577
Rmeas	0.123	0.669
Rpim	0.050	0.327
Number of reflections	43032
<I/σ(I)>	18.5	1.45
Completeness [%]	97.4	80
Redundancy	6.2	4.1
CC(1/2)	0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.8	298	NaBr, MES, Ammonium sulfate