6F5C

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

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	2013-07-15
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.953
Spacegroup name	P 1 21 1
Unit cell lengths	40.824, 71.350, 41.879
Unit cell angles	90.00, 110.75, 90.00

Refinement procedure

Resolution	39.160 - 1.550
R-factor	0.18
Rwork	0.179
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SAD DERIVED MODEL IN NACL
RMSD bond length	0.004
RMSD bond angle	0.679
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (versio 5.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.160	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.083
Rmeas	0.090	0.941
Rpim	0.036	0.728
Number of reflections	60536	1023
<I/σ(I)>	10.9	1.3
Completeness [%]	94.9	61.3
Redundancy	5.8	4
CC(1/2)	0.998	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	298	NaCl, MES, Ammonium sulfate